Geometry & MOs

Info

ID:	433660
PubChem CID:	135173800
Reduced:	Cl2N7H31C35 (1)
Stoich.:	A2B7C31D35 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	139.07
Dipole, Da:	4.62
IP(EA), eV:	-8.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyanilino)-4-(methylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCC1=CN=C2C(=C1)C=CN=C2NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)Cl

DOS

IR

Vibrations