Geometry & MOs

Info

ID:	449911
PubChem CID:	135302475
Reduced:	ClO3N5H24C28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	487.331111
ΔH_f, kcal/mol:	29.45
Dipole, Da:	6.23
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-4-(2-methylpropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=NC6=C(O5)C=CC(=C6)Cl

DOS

IR

Vibrations