Geometry & MOs

Info

ID:	169086
PubChem CID:	75061596
Reduced:	N2O7C16H16 (1)
Stoich.:	A2B7C16D16 (1)
Weight, g/mol:	517.282823
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	10.74
IP(EA), eV:	-8.99(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;N-[1-(4-tert-butylphenoxy)propan-2-yl]-3,3-diphenylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC.O

DOS

IR

Vibrations