Geometry & MOs

Info

ID:	155166
PubChem CID:	56320902
Reduced:	OCl2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	418.24811
ΔH_f, kcal/mol:	24.75
Dipole, Da:	6.99
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)CCNC(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations