Geometry & MOs

Info

ID:	59968
PubChem CID:	26512277
Reduced:	N2O5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	335.233468
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	7.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.800127
Charge, e:	1

Chem-info

IUPAC name:

[2-(cycloheptylamino)-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations