Geometry & MOs

Info

ID:	49937
PubChem CID:	11538260
Reduced:	FNOC11H12 (2)
Stoich.:	ABCD11E12 (2)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-148.51
Dipole, Da:	5.58
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-phenylpyridine-3-carbonyl)piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C(C2)C3=CC(=C(N=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations