Geometry & MOs

Info

ID:	362703
PubChem CID:	127309137
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	358.156039
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	5.24
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1NC(=O)N3CCOC(C3)CN4C=CC=N4)C=CC=C2Cl

DOS

IR

Vibrations