Geometry & MOs

Info

ID:	228055
PubChem CID:	87563290
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	6.17
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,4-dioxo-2-(1-phenylpropylamino)cyclobuten-1-yl]amino]-3-methoxypyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(C(=NC=C3)C(=O)O)OC

DOS

IR

Vibrations