Geometry & MOs

Info

ID:	213499
PubChem CID:	81063921
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-243.86
Dipole, Da:	7.19
IP(EA), eV:	-9.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=O)N1)CCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations