Geometry & MOs

Info

ID:	256236
PubChem CID:	103137884
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	3.02
IP(EA), eV:	-9.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(N=N2)C(=O)OC)CCN

DOS

IR

Vibrations