Geometry & MOs

Info

ID:	175333
PubChem CID:	75884448
Reduced:	OSN3C20H26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	27.15
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.186699
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C=CC3=CSC(=N3)C

DOS

IR

Vibrations