Geometry & MOs

Info

ID:	141131
PubChem CID:	52822135
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	342.117984
ΔH_f, kcal/mol:	38.31
Dipole, Da:	2.92
IP(EA), eV:	-8.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=NC=CC3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations