Geometry & MOs

Info

ID:	243755
PubChem CID:	99234624
Reduced:	ClFO2N4H18C23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	450.145868
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	4.62
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-4-(4-pyridin-3-yloxybenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCNC2=C(C(=CC=C2)F)C#N)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations