Geometry & MOs

Info

ID:	218151
PubChem CID:	85088955
Reduced:	N2O2C12H17 (2)
Stoich.:	A2B2C12D17 (2)
Weight, g/mol:	432.158626
ΔH_f, kcal/mol:	-162.54
Dipole, Da:	10.19
IP(EA), eV:	-8.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8(13),10-hexaen-6-yl)-2-(2-phenylcyclopropyl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CNC(=O)C2CCC3C(C2)C(=O)C(CN3)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations