Geometry & MOs

Info

ID:	256135
PubChem CID:	103137279
Reduced:	FN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	39.91
Dipole, Da:	3.59
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-methyl-8-N-(pyridin-4-ylmethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CNC(C1=NC=C(C=C1)F)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations