Geometry & MOs

Info

ID:	369743
PubChem CID:	127335192
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	9.41
IP(EA), eV:	-8.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)F

DOS

IR

Vibrations