Geometry & MOs

Info

ID:	289421
PubChem CID:	104352497
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-118.07
Dipole, Da:	4.77
IP(EA), eV:	-8.89(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCC(C(=NO)N)C(=O)N1CCC(C1)NC(=O)C

DOS

IR

Vibrations