Geometry & MOs

Info

ID:	328690
PubChem CID:	126726572
Reduced:	SN5O5C23H23 (1)
Stoich.:	AB5C5D23E23 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	6.36
IP(EA), eV:	-8.93(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-methoxytetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NCC2=CC3=C(C=C2)C(=O)N(C3)C4CCC(=O)NC4=O

DOS

IR

Vibrations