Geometry & MOs

Info

ID:	418776
PubChem CID:	135106787
Reduced:	ClN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-129.96
Dipole, Da:	1.5
IP(EA), eV:	-8.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-2-[methyl-[[5-(oxan-2-yl)thiophen-2-yl]methyl]amino]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC)Cl

DOS

IR

Vibrations