Geometry & MOs

Info

ID:	46404
PubChem CID:	10524277
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	1.75
IP(EA), eV:	-8.53(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2,5-bis(4-methylphenyl)-4-nitro-N,1-bis(prop-2-ynyl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CCCC[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC

DOS

IR

Vibrations