Geometry & MOs

Info

ID:	141937
PubChem CID:	52954702
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	507.256787
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	5.68
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)ethyl-(5,7-dimethyl-2-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-ylidene)azanium;tetrafluoroborate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NC3=CC(=CC=C3)OC)C4CC(CCC4O2)O

DOS

IR

Vibrations