Geometry & MOs

Info

ID:	204185
PubChem CID:	79926296
Reduced:	NC9H17 (2)
Stoich.:	AB9C17 (2)
Weight, g/mol:	266.272199
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	2.25
IP(EA), eV:	-8.23(2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octan-2-yl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine

Drug info:

PubChemData

Smile

CC1CCCC(C1)N2CC3CCCCN3CC2C(C)C

DOS

IR

Vibrations