Geometry & MOs

Info

ID:	205905
PubChem CID:	80174863
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-52.14
Dipole, Da:	3.8
IP(EA), eV:	-8.83(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-4-yl-(2-methyloxolan-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2(CCCO2)C)N)C

DOS

IR

Vibrations