Geometry & MOs

Info

ID:	226414
PubChem CID:	87351899
Reduced:	SN3O4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	394.192425
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	7.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.820787
Charge, e:	0

Chem-info

IUPAC name:

1-(2,8-dimethyl-5-prop-2-ynyl-3,4-dihydro-1H-pyrido[4,3-b]indol-1-yl)-1-(4-methylphenyl)hydrazine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@H](C/C(=C(/C(=O)OC)\[N+]#N)/O)C1CC1

DOS

IR

Vibrations