Geometry & MOs

Info

ID:	206332
PubChem CID:	80232637
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	7.64
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylthiophen-3-yl)-2-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC(=O)C2=C(C=NC=C2)/C=C/C(=O)O

DOS

IR

Vibrations