Geometry & MOs

Info

ID:	256195
PubChem CID:	103137650
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	272.200097
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	2.3
IP(EA), eV:	-8.78(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[1-(dimethylamino)-3-methylbutan-2-yl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCC[C@H]2CO

DOS

IR

Vibrations