Geometry & MOs

Info

ID:	370280
PubChem CID:	127337947
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	12.13
Dipole, Da:	2.57
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-oxo-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCCC(C3)C4=NC=CN4

DOS

IR

Vibrations