Geometry & MOs

Info

ID:	130356
PubChem CID:	51075700
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	3.24
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-3-yl)-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)(C)C)C1=NC2=CC=CC=C2N=C1

DOS

IR

Vibrations