Geometry & MOs

Info

ID:	256139
PubChem CID:	103137307
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	3.3
IP(EA), eV:	-9.48(2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-methyl-8-N-pentan-2-ylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCC1CCC(C(C1)CC2CCC(O2)C)O

DOS

IR

Vibrations