Geometry & MOs

Info

ID:	402077
PubChem CID:	135054187
Reduced:	NOH15C20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	403.00554
ΔH_f, kcal/mol:	102.59
Dipole, Da:	1.69
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCC2=CC=CC=C2N=CC3=CC=CO3

DOS

IR

Vibrations