Geometry & MOs

Info

ID:	313802
PubChem CID:	126617863
Reduced:	N2O2C14H19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964310
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-ethyl-N-(2-formylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC[N+]1(CCC[C@H]1C(=O)N)C2=CC=CC=C2C=O

DOS

IR

Vibrations