Geometry & MOs

Info

ID:	302856
PubChem CID:	124397592
Reduced:	BrNO2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	481.179027
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	3.29
IP(EA), eV:	-9.91(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3aR)-1-benzoyl-2-(4-methoxyphenyl)-2,3a-dihydro-1H-naphtho[1,2-e]indolizine-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(=O)N1CCC(=O)[C@H](C1)Br

DOS

IR

Vibrations