Geometry & MOs

Info

ID:	151493
PubChem CID:	53837726
Reduced:	NOH16C20 (2)
Stoich.:	ABC16D20 (2)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	100.18
Dipole, Da:	5.25
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-4-(indol-1-ylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(C=C3)C4=NC(=CN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CO

DOS

IR

Vibrations