Geometry & MOs

Info

ID:	397566
PubChem CID:	135030397
Reduced:	NO2F6H9C16 (1)
Stoich.:	AB2C6D9E16 (1)
Weight, g/mol:	452.213364
ΔH_f, kcal/mol:	-353.63
Dipole, Da:	4.36
IP(EA), eV:	-10.59(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aR,9aS)-N,N-dimethyl-9-(4-methylphenyl)sulfonyl-4a-(2-methylprop-2-enyl)-2,3,4,9a-tetrahydro-1H-carbazole-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations