Geometry & MOs

Info

ID:	216389
PubChem CID:	85086141
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	3.84
IP(EA), eV:	-9.07(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]tridecan-10-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=CCC3CC2C3(C)C)C

DOS

IR

Vibrations