Geometry & MOs

Info

ID:	49953
PubChem CID:	11538302
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	2.36
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCC(=O)N)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations