Geometry & MOs

Info

ID:	445253
PubChem CID:	135265532
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	419.173273
ΔH_f, kcal/mol:	-163.73
Dipole, Da:	7.38
IP(EA), eV:	-8.15(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2-hydroxy-2H-chromen-4-yl)-methylamino]-2-methoxycyclohexa-1,5-dien-1-yl] 2-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1=C(C=CC(=C1)N(C)C2CC(=O)OC3=CC=CCC23)OC

DOS

IR

Vibrations