Geometry & MOs

Info

ID:	445133
PubChem CID:	135264663
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	474.15149
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	3.19
IP(EA), eV:	-9.95(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-4a,8a-dihydroquinazolin-6-yl]methyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NO1)CC(C)C

DOS

IR

Vibrations