Geometry & MOs

Info

ID:	213733
PubChem CID:	81064809
Reduced:	ON4C16H30 (1)
Stoich.:	AB4C16D30 (1)
Weight, g/mol:	299.246044
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	2.57
IP(EA), eV:	-8.68(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxyethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)C(C)(C)C)N(C)CCOCC

DOS

IR

Vibrations