Geometry & MOs

Info

ID:	198456
PubChem CID:	79103112
Reduced:	NC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	322.04809
ΔH_f, kcal/mol:	29.76
Dipole, Da:	3.43
IP(EA), eV:	-8.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CN1CC2=CC3=C(CCC3)C=C2)N

DOS

IR

Vibrations