Geometry & MOs

Info

ID:	198443
PubChem CID:	79101166
Reduced:	BrN4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	52.93
Dipole, Da:	3.68
IP(EA), eV:	-8.26(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)CNN2C(=CC=C2C)C

DOS

IR

Vibrations