Geometry & MOs

Info

ID:	257011
PubChem CID:	103143042
Reduced:	IN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	285.09652
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	4.33
IP(EA), eV:	-9.46(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(difluoromethyl)phenyl]-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CCCN1C=C(C(=O)N(C1=O)CC2CCC(O2)C)I

DOS

IR

Vibrations