Geometry & MOs

Info

ID:	198444
PubChem CID:	79101579
Reduced:	N2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	252.082954
ΔH_f, kcal/mol:	41.08
Dipole, Da:	6.7
IP(EA), eV:	-8.65(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCCNC(C)C1=CC=CN1CC2=CN=CN2C

DOS

IR

Vibrations