Geometry & MOs

Info

ID:	151718
PubChem CID:	56269945
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	6.56
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]carbamoyl]naphthalen-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)N(CCN(C)C)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations