Geometry & MOs

Info

ID:	397408
PubChem CID:	135030178
Reduced:	N2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	37.15
Dipole, Da:	2.42
IP(EA), eV:	-8.24(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-methoxy-4-nitro-6-oxo-3-phenyl-1,2,3,4,4a,5-hexahydronaphthalene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CC[C@@]23[C@@](C1)(CCN2CC4=CC=CC=C4)C5=CC=CC=C5N3

DOS

IR

Vibrations