Geometry & MOs

Info

ID:	256334
PubChem CID:	103138535
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	72.95
Dipole, Da:	2.64
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations