Geometry & MOs

Info

ID:	414403
PubChem CID:	135087361
Reduced:	NOCl2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	323.114903
ΔH_f, kcal/mol:	-57.37
Dipole, Da:	5.13
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-chloro-4-propoxybenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)Cl)Cl)C2C[C@@H]3CC(C[C@@H]3C2)O

DOS

IR

Vibrations