Geometry & MOs

Info

ID:	402442
PubChem CID:	135055977
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	325.095023
ΔH_f, kcal/mol:	-148.14
Dipole, Da:	4.2
IP(EA), eV:	-10.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-methoxy-4-(nitromethyl)-2-phenyl-4H-chromene-3-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H]1CC=CC(=O)[C@H]1C(=O)OC(C)(C)C

DOS

IR

Vibrations