Geometry & MOs

Info

ID:	258892
PubChem CID:	103157355
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	300.204907
ΔH_f, kcal/mol:	-15.71
Dipole, Da:	4.19
IP(EA), eV:	-9.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCC2=CC(=CC=C2)C#N)O

DOS

IR

Vibrations