Geometry & MOs

Info

ID:	256121
PubChem CID:	103137193
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	10.27
Dipole, Da:	1.88
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(4-methylpentan-2-yl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCNC(CC(C)C(C)(C)C)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations