Geometry & MOs

Info

ID:	256319
PubChem CID:	103138443
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	3.44
IP(EA), eV:	-7.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(CO)NC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations