Geometry & MOs

Info

ID:	322457
PubChem CID:	126670200
Reduced:	O2F3N7C28H30 (1)
Stoich.:	A2B3C7D28E30 (1)
Weight, g/mol:	499.269573
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	9.99
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-yl-5-methylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)N3C=CC4=CC=CC=C43)C(F)(F)F)OC

DOS

IR

Vibrations