Geometry & MOs

Info

ID:	218624
PubChem CID:	85089713
Reduced:	N8C29H30 (1)
Stoich.:	A8B29C30 (1)
Weight, g/mol:	486.197714
ΔH_f, kcal/mol:	188.16
Dipole, Da:	3.47
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-4-methyl-2-[[4-(4-methylsulfanylbenzoyl)phenyl]-phenylmethoxy]pentanamide

Drug info:

PubChemData

Smile

CCCC1=C(C2=NC(=NN2C(=N1)C)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C6NNNN6

DOS

IR

Vibrations