Geometry & MOs

Info

ID:	256165
PubChem CID:	103137483
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	327.03711
ΔH_f, kcal/mol:	-164.74
Dipole, Da:	1.82
IP(EA), eV:	-8.86(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(2-bromophenyl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCCC2CC(=O)OC

DOS

IR

Vibrations