Geometry & MOs

Info

ID:	33137
PubChem CID:	7885098
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-176.4
Dipole, Da:	5.58
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2S)-2-methylcyclohexyl]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)NCC(C)C)C

DOS

IR

Vibrations