Geometry & MOs

Info

ID:	256333
PubChem CID:	103138534
Reduced:	Cl2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	61.67
Dipole, Da:	3.63
IP(EA), eV:	-8.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-methyl-8-N-(2-phenylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)NC2=C3C=NC=CC3=C(C=C2)N)Cl

DOS

IR

Vibrations