Geometry & MOs

Info

ID:	137875
PubChem CID:	52277123
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	39.17
Dipole, Da:	6.45
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-1-prop-2-enylurea

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

DOS

IR

Vibrations