Geometry & MOs

Info

ID:	266604
PubChem CID:	103575124
Reduced:	SN2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	274.063968
ΔH_f, kcal/mol:	3.44
Dipole, Da:	1.73
IP(EA), eV:	-8.8(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-4,6-dichlorophenol

Drug info:

PubChemData

Smile

CC1CN(CC1N)C(C)C2=CC=C(S2)C

DOS

IR

Vibrations