Geometry & MOs

Info

ID:	41811
PubChem CID:	8147147
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	424.260017
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	8.25
IP(EA), eV:	-8.41(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)[C@@H](C(C)C)NCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

DOS

IR

Vibrations