Geometry & MOs

Info

ID:	148387
PubChem CID:	53788049
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	9.46
IP(EA), eV:	-9.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[[(1R,2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)N2CC(=O)N=C2N1)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

DOS

IR

Vibrations