Geometry & MOs

Info

ID:	57137
PubChem CID:	22395382
Reduced:	NO4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-178.05
Dipole, Da:	2.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754186
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1CC1)C(=O)[O-]

DOS

IR

Vibrations