Geometry & MOs

Info

ID:	184984
PubChem CID:	77236608
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	475.143838
ΔH_f, kcal/mol:	-80.8
Dipole, Da:	4.12
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-fluorophenyl)methyl]-N-phenyl-6-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indol-8-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(NN1)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC(=C3)CC(=O)N

DOS

IR

Vibrations