Geometry & MOs

Info

ID:	402321
PubChem CID:	135055506
Reduced:	NO3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	386.160598
ΔH_f, kcal/mol:	-51.78
Dipole, Da:	3.03
IP(EA), eV:	-8.42(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydro-1H-indolizin-7-imine

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=C3C4=CC(=CC(=C4)OC)OC)O

DOS

IR

Vibrations