Geometry & MOs

Info

ID:	373921
PubChem CID:	131321303
Reduced:	ClN2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	166.146999
ΔH_f, kcal/mol:	28.6
Dipole, Da:	4.43
IP(EA), eV:	-9.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dimethylpyrrol-2-yl)butan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CC(=NC(=C2)Cl)N

DOS

IR

Vibrations