Geometry & MOs

Info

ID:	191337
PubChem CID:	78133036
Reduced:	N5O6C40H47 (1)
Stoich.:	A5B6C40D47 (1)
Weight, g/mol:	460.04226
ΔH_f, kcal/mol:	-179.88
Dipole, Da:	7.28
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-3-nitro-2,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=C(C=C(C=C2)NC(=O)CC(C3=CC=CC=C3)C(=O)O)C(=O)N4CC5=CC=CC=C5CC4CO

DOS

IR

Vibrations