Geometry & MOs

Info

ID:	263314
PubChem CID:	103355481
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	5.02
IP(EA), eV:	-7.96(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CN)N2CCC(C2)(C)O

DOS

IR

Vibrations