Geometry & MOs

Info

ID:	258464
PubChem CID:	103154230
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-157.24
Dipole, Da:	9.03
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(3-ethynylphenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C)CN

DOS

IR

Vibrations