Geometry & MOs

Info

ID:	245229
PubChem CID:	99437969
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-142.28
Dipole, Da:	7.66
IP(EA), eV:	-8.75(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-(3,3-dicyclopropylprop-2-enoyl)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)[C@@H]3CCCN3C(=O)C(C)C

DOS

IR

Vibrations