Geometry & MOs

Info

ID:	204138
PubChem CID:	79918511
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	284.225249
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	1.98
IP(EA), eV:	-8.4(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C3CCC4=CC=CC=C4C3

DOS

IR

Vibrations