Geometry & MOs

Info

ID:	275297
PubChem CID:	103815011
Reduced:	ON5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	4.4
IP(EA), eV:	-9.72(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2CCC(C2)N

DOS

IR

Vibrations