Geometry & MOs

Info

ID:	175913
PubChem CID:	75967953
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	429.112316
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	4.77
IP(EA), eV:	-8.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3,4-dichlorophenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3CCC2CC(C3)OC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations