Geometry & MOs

Info

ID:	395392
PubChem CID:	135025360
Reduced:	O2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	304.14633
ΔH_f, kcal/mol:	10.13
Dipole, Da:	3.2
IP(EA), eV:	-8.39(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)CC[C@H](C#CC1=CC=CC=C1)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations