Geometry & MOs

Info

ID:	41810
PubChem CID:	8147145
Reduced:	N2O7H18C21 (1)
Stoich.:	A2B7C18D21 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-149.94
Dipole, Da:	6.84
IP(EA), eV:	-9.6(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations