Geometry & MOs

Info

ID:	270329
PubChem CID:	103636077
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	2.39
IP(EA), eV:	-8.67(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations