Geometry & MOs

Info

ID:	73775
PubChem CID:	48420396
Reduced:	ClO3N5H16C20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	3.83
Dipole, Da:	5.08
IP(EA), eV:	-9.53(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(cyclopropylcarbamoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCCN4C=NC=N4)Cl

DOS

IR

Vibrations