Geometry & MOs

Info

ID:	256101
PubChem CID:	103137014
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	299.08254
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	5.73
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(5-chloro-2-methoxyphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC(=O)CN2C=NC(=N2)N

DOS

IR

Vibrations