Geometry & MOs

Info

ID:	256438
PubChem CID:	103139227
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	17.66
Dipole, Da:	4.62
IP(EA), eV:	-7.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl(isoquinolin-8-yl)methanol

Drug info:

PubChemData

Smile

CCS(=O)CCNC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations