Geometry & MOs

Info

ID:	401840
PubChem CID:	135052874
Reduced:	O3H18C20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	377.066615
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	4.99
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methoxyphenyl)-6,8-dimethoxy-3-nitro-4H-chromene

Drug info:

PubChemData

Smile

CC1(CCC2=CC3=C(C=C2O1)O/C(=C\C4=CC=CC=C4)/C3=O)C

DOS

IR

Vibrations