Geometry & MOs

Info

ID:	167077
PubChem CID:	74777491
Reduced:	N2O5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-135.45
Dipole, Da:	7.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.900272
Charge, e:	0

Chem-info

IUPAC name:

5-N-cycloheptyl-1-cyclopropyl-3-N-[1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

COCC1=CC=C(O1)C[NH+]2CCCC(C2)CNC(=O)COC3=CC=CC=C3OC

DOS

IR

Vibrations