Geometry & MOs

Info

ID:	198445
PubChem CID:	79101606
Reduced:	ClFN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	308.05243
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	5.06
IP(EA), eV:	-8.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CN(C=C1)CC2=C(C=CC=C2Cl)F)N

DOS

IR

Vibrations