Geometry & MOs

Info

ID:	189110
PubChem CID:	77818946
Reduced:	OF2N3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	315.204573
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	5.64
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(butoxycarbonylamino)-3-(2,6-dimethyloxan-4-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)C2=CC=C(C=C2)NN=CC3=C(C=CC=C3F)F

DOS

IR

Vibrations