Geometry & MOs

Info

ID:	199708
PubChem CID:	79285130
Reduced:	ClN4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	25.64
Dipole, Da:	5.7
IP(EA), eV:	-8.67(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)N=C(N2C3(CCCCC3)C)C(C)Cl

DOS

IR

Vibrations