Geometry & MOs

Info

ID:	361306
PubChem CID:	127302501
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	8.06
IP(EA), eV:	-8.36(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CC4=C(C=C3)NC(=O)CC4)O

DOS

IR

Vibrations