Geometry & MOs

Info

ID:	358658
PubChem CID:	127296440
Reduced:	NO2S2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-61.81
Dipole, Da:	5.47
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methoxy-4-methylphenyl)cyclopentyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations