Geometry & MOs

Info

ID:	163517
PubChem CID:	58023896
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	421.171417
ΔH_f, kcal/mol:	-82.72
Dipole, Da:	7.4
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,4-difluoropiperidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1O)CC2=NC(=C3N2C=CC=C3)C(=O)O

DOS

IR

Vibrations