Geometry & MOs

Info

ID:	61246
PubChem CID:	26707394
Reduced:	ClO3N4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-73.01
Dipole, Da:	8.72
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-2-(2-methylindol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C[C@@H]3C4=CC=CC=C4C=CN3C(=O)C

DOS

IR

Vibrations