Geometry & MOs

Info

ID:	244815
PubChem CID:	99381490
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	3.1
IP(EA), eV:	-9.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC[C@H]2CC(=O)N)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations