Geometry & MOs

Info

ID:	150867
PubChem CID:	53790564
Reduced:	ClO3N4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	2.33
IP(EA), eV:	-8.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-methylphenyl)-2-(2,3-dihydrobenzotriazol-1-yl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C)N2C3=CC=CC=C3NN2.CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations