Geometry & MOs

Info

ID:	74914
PubChem CID:	48422690
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	3.51
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)SC

DOS

IR

Vibrations