Geometry & MOs

Info

ID:	187055
PubChem CID:	77526479
Reduced:	ClON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	480.227374
ΔH_f, kcal/mol:	14.12
Dipole, Da:	9.51
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-7-[3-(dimethylamino)pyrrolidin-1-yl]-N,5-dimethyl-6-phenyl-N-pyridin-2-yl-1,3-benzoxazole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C(=C(C=C2C#N)C3=CC=CC=C3)N4CCC(C4)N(C)C.Cl

DOS

IR

Vibrations