Geometry & MOs

Info

ID:	438970
PubChem CID:	135228731
Reduced:	N4O5C27H30 (1)
Stoich.:	A4B5C27D30 (1)
Weight, g/mol:	436.289679
ΔH_f, kcal/mol:	-143.34
Dipole, Da:	10.15
IP(EA), eV:	-8.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(N=C4)N5CCOCC5

DOS

IR

Vibrations