Geometry & MOs

Info

ID:	44246
PubChem CID:	10502163
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	419.154824
ΔH_f, kcal/mol:	-151.17
Dipole, Da:	11.51
IP(EA), eV:	-8.8(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5CCCC6=C(C(=CC(=C56)N=C4C3=C2)N)O)O

DOS

IR

Vibrations