Geometry & MOs

Info

ID:	255625
PubChem CID:	103133499
Reduced:	BrON2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	202.085461
ΔH_f, kcal/mol:	46.48
Dipole, Da:	5.99
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-aminopyridin-2-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=C(C=CC(=C3)N)Br

DOS

IR

Vibrations