Geometry & MOs

Info

ID:	33163
PubChem CID:	7885234
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-121.12
Dipole, Da:	10.23
IP(EA), eV:	-9.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C

DOS

IR

Vibrations