Geometry & MOs

Info

ID:	196856
PubChem CID:	78888370
Reduced:	BrNO3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-99.3
Dipole, Da:	2.58
IP(EA), eV:	-9.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-(4-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)Br)C(=O)NCCO

DOS

IR

Vibrations