Geometry & MOs

Info

ID:	354451
PubChem CID:	127286895
Reduced:	FON5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-57.17
Dipole, Da:	6.63
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)N3CCCC3CN4CCCCC4)F

DOS

IR

Vibrations