Geometry & MOs

Info

ID:	35580
PubChem CID:	7980060
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	278.212004
ΔH_f, kcal/mol:	-22.25
Dipole, Da:	5.59
IP(EA), eV:	-9.14(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-[(1R,2S,3R)-2,3-dimethylcyclohexyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations