Geometry & MOs

Info

ID:	275871
PubChem CID:	103818539
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	4.75
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(1-propylpyrazol-4-yl)methylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NCC2=C(C=CO2)Br)C(=O)N

DOS

IR

Vibrations