Geometry & MOs

Info

ID:	264458
PubChem CID:	103463040
Reduced:	ClN4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	298.225643
ΔH_f, kcal/mol:	36.88
Dipole, Da:	5.16
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,2-dimethylbutylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CN1C(=NC2=C1N(N=C2C)C)CCl

DOS

IR

Vibrations