Geometry & MOs

Info

ID:	256173
PubChem CID:	103137530
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	32.39
Dipole, Da:	3.35
IP(EA), eV:	-8.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(furan-3-ylmethyl)-8-N-methylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCC1CCN(CC1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations