Geometry & MOs

Info

ID:	161210
PubChem CID:	57391046
Reduced:	ClON6C24H25 (1)
Stoich.:	ABC6D24E25 (1)
Weight, g/mol:	441.143704
ΔH_f, kcal/mol:	67.27
Dipole, Da:	6.41
IP(EA), eV:	-8.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(10-morpholin-4-yl-1,6,11,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-12-yl)phenyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC2=NC3=C(C=C(C=C3)N(C)C(=O)/C=C/CN(C)C)N4C2=CN=C4

DOS

IR

Vibrations