Geometry & MOs

Info

ID:	397999
PubChem CID:	135031300
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	425.16608
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	5.38
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4aR,9aS)-9-(4-methylphenyl)sulfonyl-4a-prop-2-enyl-2,3,4,9a-tetrahydro-1H-carbazole-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2C(C1=O)(C3C=CC(=O)O3)O

DOS

IR

Vibrations