Geometry & MOs

Info

ID:	204177
PubChem CID:	79925680
Reduced:	FNC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	182.178299
ΔH_f, kcal/mol:	-80.04
Dipole, Da:	1.55
IP(EA), eV:	-8.43(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCCN(CC2C1)CC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations