Geometry & MOs

Info

ID:	256094
PubChem CID:	103136957
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	299.08254
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	4.21
IP(EA), eV:	-8.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3-chloro-4-methoxyphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC(=O)C2=C(C=CC(=C2)N)N(C)C

DOS

IR

Vibrations