Geometry & MOs

Info

ID:	47073
PubChem CID:	10529401
Reduced:	NOH16C17 (2)
Stoich.:	ABC16D17 (2)
Weight, g/mol:	500.385702
ΔH_f, kcal/mol:	46.55
Dipole, Da:	6.69
IP(EA), eV:	-9.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCCCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations