Geometry & MOs

Info

ID:	195597
PubChem CID:	78707971
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	379.238553
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	1.67
IP(EA), eV:	-7.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)ethyl-[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations