Geometry & MOs

Info

ID:	306222
PubChem CID:	125002908
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	337.170274
ΔH_f, kcal/mol:	0.15
Dipole, Da:	7.04
IP(EA), eV:	-8.66(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N2CCC[C@@H]2C3=CC(=NC(=N3)C)N(C)C

DOS

IR

Vibrations