Geometry & MOs

Info

ID:	389059
PubChem CID:	134991025
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-125.06
Dipole, Da:	6.6
IP(EA), eV:	-8.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C(=C2C1=O)C)F)N3CCNC(C3)C)C4CC4

DOS

IR

Vibrations