Geometry & MOs

Info

ID:	244950
PubChem CID:	99431650
Reduced:	O2N5C27H35 (1)
Stoich.:	A2B5C27D35 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	3.99
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-(1-cyanocyclohexanecarbonyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)C3=CN(C4=CC=CC=C43)CCN(C)C

DOS

IR

Vibrations