Geometry & MOs

Info

ID:	255609
PubChem CID:	103133361
Reduced:	O2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	279.00072
ΔH_f, kcal/mol:	-32.33
Dipole, Da:	6.23
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-bromophenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)COCCN

DOS

IR

Vibrations