Geometry & MOs

Info

ID:	330270
PubChem CID:	127247257
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	6.22
IP(EA), eV:	-9.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-1-yl-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCC(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations