Geometry & MOs

Info

ID:	174429
PubChem CID:	75761573
Reduced:	NOC14H16 (2)
Stoich.:	ABC14D16 (2)
Weight, g/mol:	507.192484
ΔH_f, kcal/mol:	-38.9
Dipole, Da:	3.57
IP(EA), eV:	-9.35(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(2-chloro-5-nitrophenyl)-2-oxoethyl]-N,2-diphenylbutanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)C(CC)C3=CC=CC=C3

DOS

IR

Vibrations