Geometry & MOs

Info

ID:	223359
PubChem CID:	85334911
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.094963
ΔH_f, kcal/mol:	-155.95
Dipole, Da:	3.55
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,8,10,12,14-octaen-6-ylmethanol

Drug info:

PubChemData

Smile

CC=CC1=C(C(=CC=C1)OC(=O)C)COC(=O)C

DOS

IR

Vibrations