Geometry & MOs

Info

ID:	442036
PubChem CID:	135248294
Reduced:	OCl2N2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	169.18305
ΔH_f, kcal/mol:	14.81
Dipole, Da:	4.36
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,6,6-pentamethylazepane

Drug info:

PubChemData

Smile

C1C(C(=CC=C1CN2C=NC=C2C3=CC=C(C=C3)O)Cl)Cl

DOS

IR

Vibrations