Geometry & MOs

Info

ID:	373282
PubChem CID:	131312678
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	5.72
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-methylsulfanyl-5-(pyridin-4-ylmethyl)pyrrol-2-amine

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C2=CC(=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations