Geometry & MOs

Info

ID:	204276
PubChem CID:	79939977
Reduced:	ClFN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	265.134575
ΔH_f, kcal/mol:	-38.64
Dipole, Da:	3.48
IP(EA), eV:	-8.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloroaniline

Drug info:

PubChemData

Smile

CCC1CN2CCCC2CN1C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations