Geometry & MOs

Info

ID:	367895
PubChem CID:	127326068
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	3.01
IP(EA), eV:	-8.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-1-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C3CCCN(C3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations