Geometry & MOs

Info

ID:	217256
PubChem CID:	85087509
Reduced:	NPO8C13H18 (1)
Stoich.:	ABC8D13E18 (1)
Weight, g/mol:	346.10446
ΔH_f, kcal/mol:	-401.42
Dipole, Da:	3.36
IP(EA), eV:	-9.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethyl)-4a-methyl-3,4,5,6,7,11c-hexahydro-2H-pyrido[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1C(C(C(N1C(=O)OCC2=CC=CC=C2)COP(=O)(O)O)O)O

DOS

IR

Vibrations