Geometry & MOs

Info

ID:	266077
PubChem CID:	103558342
Reduced:	BrNO2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	307.04192
ΔH_f, kcal/mol:	-109.14
Dipole, Da:	5.0
IP(EA), eV:	-9.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1CCN(C1CBr)C(=O)CC2(CCC2)OC

DOS

IR

Vibrations