Geometry & MOs

Info

ID:	302905
PubChem CID:	124403636
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	483.134969
ΔH_f, kcal/mol:	-206.01
Dipole, Da:	3.42
IP(EA), eV:	-9.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,3R,10bR)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-2-phenyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)NC(=O)[C@H](N2CC#N)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations