Geometry & MOs

Info

ID:	166530
PubChem CID:	74704336
Reduced:	ON4C31H33 (1)
Stoich.:	AB4C31D33 (1)
Weight, g/mol:	360.144712
ΔH_f, kcal/mol:	87.56
Dipole, Da:	6.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954069
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=C(C=C3)C[NH+]4CCC5=CC=CC=C5C4)C

DOS

IR

Vibrations