Geometry & MOs

Info

ID:	237100
PubChem CID:	92717315
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	417.157623
ΔH_f, kcal/mol:	19.92
Dipole, Da:	4.63
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl] 9H-xanthene-9-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)N[C@@H](C)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations