Geometry & MOs

Info

ID:	198403
PubChem CID:	79096957
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	262.123676
ΔH_f, kcal/mol:	31.58
Dipole, Da:	3.8
IP(EA), eV:	-8.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C=C1)CCC2=CSC=C2)N

DOS

IR

Vibrations