Geometry & MOs

Info

ID:	373603
PubChem CID:	131317744
Reduced:	BrN3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	29.11
Dipole, Da:	1.49
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-methylsulfanyl-2-(pyridin-2-ylmethyl)pyrrol-3-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)Br)N2CCNCC2

DOS

IR

Vibrations