Geometry & MOs

Info

ID:	204182
PubChem CID:	79925719
Reduced:	N2C15H28 (1)
Stoich.:	A2B15C28 (1)
Weight, g/mol:	322.10446
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	1.64
IP(EA), eV:	-8.14(2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCCN3CCCCC3C2

DOS

IR

Vibrations