Geometry & MOs

Info

ID:	275940
PubChem CID:	103819299
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	360.96175
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	3.13
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-1-chloroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)NC1=C(N=CC=C1)Br

DOS

IR

Vibrations