Geometry & MOs

Info

ID:	177245
PubChem CID:	76153082
Reduced:	ClFO2N3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	3.01
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(CCCCNCC2=CC=C(C=C2)Cl)C(=O)NO)F

DOS

IR

Vibrations