Geometry & MOs

Info

ID:	275121
PubChem CID:	103813902
Reduced:	BrON6C13H15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	331.03202
ΔH_f, kcal/mol:	38.74
Dipole, Da:	8.75
IP(EA), eV:	-9.08(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1N2C=C(N=N2)C(=O)NC3=CN=C(C=C3)Br

DOS

IR

Vibrations