Geometry & MOs

Info

ID:	312017
PubChem CID:	126601367
Reduced:	N2O4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	490.14672
ΔH_f, kcal/mol:	-52.74
Dipole, Da:	5.76
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[6-amino-5-bromo-4-(3,4-dihydro-2H-chromen-6-yl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)N2C=C3C=CC=C(C3=N2)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations