Geometry & MOs

Info

ID:	142091
PubChem CID:	52978700
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	392.222569
ΔH_f, kcal/mol:	-166.31
Dipole, Da:	6.46
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)-(6-ethyl-2-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-ylidene)azanium

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N=C2C(=CC3CCCC(C3O2)OC)C(=O)NC(=O)C

DOS

IR

Vibrations