Geometry & MOs

Info

ID:	289398
PubChem CID:	104349727
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	5.83
IP(EA), eV:	-9.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3-cyanopyridin-2-yl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations