Geometry & MOs

Info

ID:	48021
PubChem CID:	10536616
Reduced:	BrON2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	17.31
Dipole, Da:	2.67
IP(EA), eV:	-9.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-1-methylpyrazol-4-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

C=CCN1C=NC(=C1C=O)Br

DOS

IR

Vibrations