Geometry & MOs

Info

ID:	155638
PubChem CID:	56366509
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-112.2
Dipole, Da:	4.24
IP(EA), eV:	-9.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carbonyl)piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations