Geometry & MOs

Info

ID:	74973
PubChem CID:	48422775
Reduced:	BrNO2S2C14H20 (1)
Stoich.:	ABC2D2E14F20 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	1.17
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCSCC1=CC=C(S1)Br)OCC2CC2

DOS

IR

Vibrations