Geometry & MOs

Info

ID:	258515
PubChem CID:	103154632
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	241.153875
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	4.08
IP(EA), eV:	-9.28(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations