Geometry & MOs

Info

ID:	390105
PubChem CID:	134997101
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-75.32
Dipole, Da:	2.42
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-ethenyl-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC)NC(CC(=O)/C=C\C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations