Geometry & MOs

Info

ID:	76225
PubChem CID:	48424621
Reduced:	NOC11H17 (2)
Stoich.:	ABC11D17 (2)
Weight, g/mol:	383.07322
ΔH_f, kcal/mol:	-77.79
Dipole, Da:	4.08
IP(EA), eV:	-8.11(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-bromophenyl)-3-[2-(cyclopropylmethoxy)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)C2=CC=C(C=C2)C(C)(C)C)OCC3CC3

DOS

IR

Vibrations