Geometry & MOs

Info

ID:	141936
PubChem CID:	52954621
Reduced:	ClNO7C21H22 (1)
Stoich.:	ABC7D21E22 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	11.06
IP(EA), eV:	-9.77(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4-(3-methoxyphenyl)imino-4a,5,6,7,8,8a-hexahydrochromen-6-ol

Drug info:

PubChemData

Smile

C1CC2C(CC1O)C(=[NH+]C3=CC=C(C=C3)O)C=C(O2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations