Geometry & MOs

Info

ID:	289422
PubChem CID:	104352691
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	4.56
IP(EA), eV:	-9.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)N2CCC(C2)NC(=O)C

DOS

IR

Vibrations