Geometry & MOs

Info

ID:	7186
PubChem CID:	71490
Reduced:	ON2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	337.227989
ΔH_f, kcal/mol:	20.31
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750786
Charge, e:	1

Chem-info

IUPAC name:

4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide

Drug info:

PubChemData

Smile

C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations