Geometry & MOs

Info

ID:	59065
PubChem CID:	24770720
Reduced:	N3O5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	5.02
IP(EA), eV:	-9.35(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbutoxy)-2-prop-2-enyl-3-propoxybenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=CC(ON2C3=C(C=C(C=C3)C(=O)NCCO)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations