Geometry & MOs

Info

ID:	444871
PubChem CID:	135263786
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	318.092376
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	1.54
IP(EA), eV:	-8.4(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-13,13-dimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OCCN1CC=CC=C1)N

DOS

IR

Vibrations