Geometry & MOs

Info

ID:	419503
PubChem CID:	135108302
Reduced:	O4N7C34H45 (1)
Stoich.:	A4B7C34D45 (1)
Weight, g/mol:	315.185924
ΔH_f, kcal/mol:	-125.36
Dipole, Da:	6.35
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)CC4=CN=CN4

DOS

IR

Vibrations