Geometry & MOs

Info

ID:	39921
PubChem CID:	8143214
Reduced:	O2N3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	8.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773742
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methoxyethyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+](CCOC)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations