Geometry & MOs

Info

ID:	275290
PubChem CID:	103814995
Reduced:	ON5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	-11.96
Dipole, Da:	4.93
IP(EA), eV:	-9.4(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)[C@H]2CCCCN2

DOS

IR

Vibrations