Geometry & MOs

Info

ID:	266902
PubChem CID:	103579985
Reduced:	BrClON3C9H11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	313.99339
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	2.57
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCNC(=O)CNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations