Geometry & MOs

Info

ID:	256158
PubChem CID:	103137436
Reduced:	BrOSC10H17 (1)
Stoich.:	ABCD10E17 (1)
Weight, g/mol:	271.092104
ΔH_f, kcal/mol:	-73.86
Dipole, Da:	2.18
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2,3-difluorophenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2CSCC2Br

DOS

IR

Vibrations