Geometry & MOs

Info

ID:	223694
PubChem CID:	85335431
Reduced:	O2N3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	492.298808
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	6.68
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-phenylpropyl)cyclobutyl]methyl N-[1,2-dioxo-1-(1-phenylethylamino)heptan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1CCC2=C3C(=CC=C2)CC(N3C1=O)C(=O)NCC4=CN=NC=C4)NC(=O)C

DOS

IR

Vibrations