Geometry & MOs

Info

ID:	61448
PubChem CID:	26709475
Reduced:	N2O4C25H35 (1)
Stoich.:	A2B4C25D35 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	7.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.009980
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

DOS

IR

Vibrations