Geometry & MOs

Info

ID:	166319
PubChem CID:	74670168
Reduced:	ClO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	440.125133
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	0.95
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(6,7-dimethoxy-4-oxo-6H-quinazolin-2-yl)methyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC(=NO3)C)Cl

DOS

IR

Vibrations