Geometry & MOs

Info

ID:	175113
PubChem CID:	75856954
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	433.168081
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	2.09
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)OC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations