Geometry & MOs

Info

ID:	182268
PubChem CID:	76868621
Reduced:	OS2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	49.61
Dipole, Da:	3.52
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(2-methoxy-4-prop-1-enylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=NC(=NC(=O)C23)CC4=CSC(=N4)C(C)C)C

DOS

IR

Vibrations