Geometry & MOs

Info

ID:	178950
PubChem CID:	76406738
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	323.177982
ΔH_f, kcal/mol:	-101.86
Dipole, Da:	7.06
IP(EA), eV:	-9.43(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2=O)C(=O)C3CC(CN3)N

DOS

IR

Vibrations