Geometry & MOs

Info

ID:	448678
PubChem CID:	135292764
Reduced:	N4O11C27H36 (1)
Stoich.:	A4B11C27D36 (1)
Weight, g/mol:	271.089455
ΔH_f, kcal/mol:	-431.51
Dipole, Da:	6.04
IP(EA), eV:	-8.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(3,4-dichlorophenyl)-4-methyl-1-propan-2-ylpyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC2=CC=C(C=C2)C(N3CCOCC3)(O)O)CN(C=O)C(C(=O)NC)(C(C(C=O)(O)O)(O)O)O

DOS

IR

Vibrations