Geometry & MOs

Info

ID:	75044
PubChem CID:	48422913
Reduced:	BrNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	1.89
IP(EA), eV:	-9.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(S1)Br)OCC2CC2

DOS

IR

Vibrations