Geometry & MOs

Info

ID:	39871
PubChem CID:	8142623
Reduced:	FO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	1.62
IP(EA), eV:	-8.42(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+](C)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations