Geometry & MOs

Info

ID:	188378
PubChem CID:	77707260
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-47.42
Dipole, Da:	4.7
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3-methoxyphenyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]butan-1-one

Drug info:

PubChemData

Smile

CCC(=C(C)C(=O)O)N(C)C.C=CC1=CC=CC=N1

DOS

IR

Vibrations