Geometry & MOs

Info

ID:	204176
PubChem CID:	79923994
Reduced:	SN2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	280.175105
ΔH_f, kcal/mol:	29.08
Dipole, Da:	2.78
IP(EA), eV:	-7.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CN2CCCC2CN1C3=CC4=C(C=C3)SC=C4

DOS

IR

Vibrations