Geometry & MOs

Info

ID:	155330
PubChem CID:	56352919
Reduced:	ClN4O4C25H31 (1)
Stoich.:	AB4C4D25E31 (1)
Weight, g/mol:	476.258754
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	6.53
IP(EA), eV:	-8.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOCC2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

DOS

IR

Vibrations