Geometry & MOs

Info

ID:	395428
PubChem CID:	135025436
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	304.14633
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	4.49
IP(EA), eV:	-9.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-6-methoxy-4-(2-phenylethynyl)-3-prop-1-en-2-yl-3,4-dihydro-2H-chromene

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)C(=O)CCC=C)C(=O)OC(C)(C)C

DOS

IR

Vibrations