Geometry & MOs

Info

ID:	178178
PubChem CID:	76290371
Reduced:	SN2O3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	3.6
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-1-enylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(CC2CCCO2)C(=O)C=CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations