Geometry & MOs

Info

ID:	165530
PubChem CID:	74561502
Reduced:	N3O4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	294.206919
ΔH_f, kcal/mol:	-99.05
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.881597
Charge, e:	1

Chem-info

IUPAC name:

(2-methylcyclohexyl)-[(2,3,4-trimethoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCN1C(=CC2C1=[N+](C(=O)N(C2=O)C)C)C(=O)O

DOS

IR

Vibrations