Geometry & MOs

Info

ID:	142798
PubChem CID:	53092870
Reduced:	ClNO4H16C23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	2.85
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-1-propylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations