Geometry & MOs

Info

ID:	256177
PubChem CID:	103137551
Reduced:	N2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	62.6
Dipole, Da:	1.01
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC=C1C)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations