Geometry & MOs

Info

ID:	256222
PubChem CID:	103137836
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	6.17
IP(EA), eV:	-8.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-ethyl-8-N-(1-methoxypropan-2-yl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N)C1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations