Geometry & MOs

Info

ID:	43501
PubChem CID:	10321395
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	447.192688
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	2.19
IP(EA), eV:	-8.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC(=C(C=C3)OC)OC4CCCC4

DOS

IR

Vibrations