Geometry & MOs

Info

ID:	227942
PubChem CID:	87563101
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	6.73
IP(EA), eV:	-8.58(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-3-methoxypyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(C(=NC=C3)C(=O)OC)OC

DOS

IR

Vibrations