Geometry & MOs

Info

ID:	431760
PubChem CID:	135171864
Reduced:	FN2O3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	469.294057
ΔH_f, kcal/mol:	-199.59
Dipole, Da:	0.99
IP(EA), eV:	-8.38(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[6-(methoxymethyl)pyridin-3-yl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1F)N(CC(C)C)C2CCOCC2)N

DOS

IR

Vibrations