Geometry & MOs

Info

ID:	322555
PubChem CID:	126670497
Reduced:	N2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	559.265551
ΔH_f, kcal/mol:	53.42
Dipole, Da:	2.98
IP(EA), eV:	-7.92(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]-3-methyl-2-oxobenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N(C)C(=C2CCC2)C3=CC=C(C=C3)NC

DOS

IR

Vibrations