Geometry & MOs

Info

ID:	418168
PubChem CID:	135103741
Reduced:	SO2N6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	300.058945
ΔH_f, kcal/mol:	58.8
Dipole, Da:	3.63
IP(EA), eV:	-9.42(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4,5-difluoro-N-[3-(triazol-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)CN(C)CC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations