Geometry & MOs

Info

ID:	79724
PubChem CID:	49830155
Reduced:	ClON4C23H37 (1)
Stoich.:	ABC4D23E37 (1)
Weight, g/mol:	403.270916
ΔH_f, kcal/mol:	4.42
Dipole, Da:	14.11
IP(EA), eV:	-7.39(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[NH+]1CCC(CC1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations