Geometry & MOs

Info

ID:	369753
PubChem CID:	127335215
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	0.84
Dipole, Da:	7.41
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC4=C(S3)CCCCC4

DOS

IR

Vibrations