Geometry & MOs

Info

ID:	25954
PubChem CID:	634838
Reduced:	N2O7C29H48 (1)
Stoich.:	A2B7C29D48 (1)
Weight, g/mol:	442.381081
ΔH_f, kcal/mol:	-277.52
Dipole, Da:	4.29
IP(EA), eV:	-8.81(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC(C)(C)C)NCCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations