Geometry & MOs

Info

ID:	135133
PubChem CID:	51819821
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	400.308979
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	6.95
IP(EA), eV:	-8.96(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)OC)N(C(=O)C2=CC=CC=C2OC)C(C)(C)C

DOS

IR

Vibrations