Geometry & MOs

Info

ID:	129129
PubChem CID:	51071094
Reduced:	N3O4C29H37 (1)
Stoich.:	A3B4C29D37 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-158.99
Dipole, Da:	5.41
IP(EA), eV:	-9.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3CCN(CC3)C(=O)COCC4=CC=CC=C4

DOS

IR

Vibrations