Geometry & MOs

Info

ID:	404366
PubChem CID:	135066034
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	2.98
IP(EA), eV:	-8.78(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(2,3,4-trimethoxyphenyl)methylamino]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)(C)CC[C@@H](C(=O)C)O

DOS

IR

Vibrations