Geometry & MOs

Info

ID:	140812
PubChem CID:	52765698
Reduced:	O3N5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	463.307302
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	6.61
IP(EA), eV:	-6.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2CC[NH+](CC2)[C@H](C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations