Geometry & MOs

Info

ID:	133461
PubChem CID:	51530840
Reduced:	N2O5H24C25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	492.20112
ΔH_f, kcal/mol:	-131.96
Dipole, Da:	8.81
IP(EA), eV:	-8.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(2-phenylquinazolin-3-ium-4-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations