Geometry & MOs

Info

ID:	141708
PubChem CID:	52919665
Reduced:	O5N9C16H29 (1)
Stoich.:	A5B9C16D29 (1)
Weight, g/mol:	432.178418
ΔH_f, kcal/mol:	-204.71
Dipole, Da:	10.59
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-1-[2-hydroxy-4,6-bis(methoxymethoxy)-3,5-dimethylphenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C1CN=C(NC1=O)NC(=O)N)C(=O)C[C@H](CCCN=C(N)N)NC(=O)CCO

DOS

IR

Vibrations