Geometry & MOs

Info

ID:	46433
PubChem CID:	10524395
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	389.221355
ΔH_f, kcal/mol:	-200.23
Dipole, Da:	3.1
IP(EA), eV:	-9.39(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aS,5S,11bR)-3-benzyl-5-deuterio-5-ethyl-2,3a,4,7-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations