Geometry & MOs

Info

ID:	264058
PubChem CID:	103422419
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-112.76
Dipole, Da:	4.78
IP(EA), eV:	-8.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-5-(3,3-dimethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CCN(CC1CC1)C2=C(C(=C(S2)C(=O)OC)N)OC(C)C

DOS

IR

Vibrations