Geometry & MOs

Info

ID:

223838

PubChem CID:

85335643

Reduced:

N2O3C38H62 (1)

Stoich.:

A2B3C38D62 (1)

Weight, g/mol:

599.303159

ΔHf, kcal/mol:

-67.32

Dipole, Da:

46.95

IP(EA), eV:

 -4.88(-2.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-2-[5-[[7-[3-[2-(2-hydroxyethyl)piperidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C[N+]67CCN(CC6)CC7)C)C[O-]

DOS

IR

Vibrations