Geometry & MOs

Info

ID:	163536
PubChem CID:	58033961
Reduced:	ON2C21H32 (1)
Stoich.:	AB2C21D32 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	4.93
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-[(5-isocyanopyridin-2-yl)methyl]cyclohexyl]-2-oxoethyl]-3-propan-2-yl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CC2(CCN(CC2)CCC(C)(C)C)C3=CC=CC=C13

DOS

IR

Vibrations