Geometry & MOs

Info

ID:	141901
PubChem CID:	52949072
Reduced:	SN2O5C15H16 (2)
Stoich.:	AB2C5D15E16 (2)
Weight, g/mol:	361.119319
ΔH_f, kcal/mol:	-328.15
Dipole, Da:	9.46
IP(EA), eV:	-8.54(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-6,7,8-trimethoxyquinazolin-4-amine;hydrochloride

Drug info:

PubChemData

Smile

CC\1=C(/C/2=C/C3=C(C(=C(N3)/C=C\4/C(=C(/C(=C/C5=C(C(=C(N5)/C=C1\N2)S(=O)(=O)O)C)/N4)S(=O)(=O)O)C)C)CCC(=O)O)CCC(=O)O

DOS

IR

Vibrations