Geometry & MOs

Info

ID:	145430
PubChem CID:	53523943
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	253.19026
ΔH_f, kcal/mol:	83.72
Dipole, Da:	6.99
IP(EA), eV:	-9.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=NN=NN1C2=CC=CC=C2

DOS

IR

Vibrations