Geometry & MOs

Info

ID:	445252
PubChem CID:	135265529
Reduced:	N2O4C29H44 (1)
Stoich.:	A2B4C29D44 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-175.87
Dipole, Da:	3.84
IP(EA), eV:	-7.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxo-3,4,4a,5-tetrahydrochromen-4-yl)amino]phenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCC(NC1=C(CC(C(=C1)N(C)C2=CC(OC3=CC=CC=C32)(C)O)C)OC)O

DOS

IR

Vibrations