Geometry & MOs

Info

ID:	305935
PubChem CID:	124975190
Reduced:	NO4C33H39 (1)
Stoich.:	AB4C33D39 (1)
Weight, g/mol:	341.196408
ΔH_f, kcal/mol:	-157.89
Dipole, Da:	6.03
IP(EA), eV:	-8.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C[C@]2(CC3=C(O2)C=CC(=C3)CCC(=O)N(CCC4=CC=CC=C4)CCC(=O)O)C

DOS

IR

Vibrations