Geometry & MOs

Info

ID:	297078
PubChem CID:	117607978
Reduced:	N3O7C30H43 (1)
Stoich.:	A3B7C30D43 (1)
Weight, g/mol:	285.194008
ΔH_f, kcal/mol:	-282.92
Dipole, Da:	6.62
IP(EA), eV:	-8.85(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2R)-2-[(4-hydroxy-4-methylcyclohexanecarbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CC2CCC2)C(=O)[C@]3(CO3)C)NC(=O)C4CCC(CC4)O

DOS

IR

Vibrations