Geometry & MOs

Info

ID:	359824
PubChem CID:	127299868
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.49
IP(EA), eV:	-8.91(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-(2-oxo-1-phenylpyrrolidin-3-yl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations