Geometry & MOs

Info

ID:	226059
PubChem CID:	87305753
Reduced:	ClN4O5H21C25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-64.84
Dipole, Da:	4.57
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)NN(C=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations