Geometry & MOs

Info

ID:	147063
PubChem CID:	53786618
Reduced:	N2O2C33H48 (1)
Stoich.:	A2B2C33D48 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-131.17
Dipole, Da:	4.16
IP(EA), eV:	-8.59(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-4-cyano-2-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(C)(C)C)C(C)(C)C)CN=C5[C@@]3(CCC(=O)C5)C

DOS

IR

Vibrations