Geometry & MOs

Info

ID:	252363
PubChem CID:	103110811
Reduced:	O4N6C11H16 (1)
Stoich.:	A4B6C11D16 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-110.11
Dipole, Da:	7.27
IP(EA), eV:	-10.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzotriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)N2CCNC2=O)CN

DOS

IR

Vibrations