Geometry & MOs

Info

ID:	207028
PubChem CID:	80336019
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	4.91
IP(EA), eV:	-9.03(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=C(N=CC=C1)OC)C2(CCCC2)CN

DOS

IR

Vibrations