Geometry & MOs

Info

ID:

322458

PubChem CID:

126670201

Reduced:

O2N7C28H33 (1)

Stoich.:

A2B7C28D33 (1)

Weight, g/mol:

572.285952

ΔHf, kcal/mol:

54.33

Dipole, Da:

6.17

IP(EA), eV:

 -8.14(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[4-(3-cyclopropyl-5-methoxy-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N2C=CC3=CC=CC=C32)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations