Geometry & MOs

Info

ID:	140505
PubChem CID:	52711282
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-77.77
Dipole, Da:	4.4
IP(EA), eV:	-8.89(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C(=CC(=N2)C3CC3)C(=O)N[C@@H]4CCCN(C4)CC5=CC=CC=C5)C(=O)NC1=O

DOS

IR

Vibrations