Geometry & MOs

Info

ID:	306348
PubChem CID:	125003864
Reduced:	ON6C24H24 (1)
Stoich.:	AB6C24D24 (1)
Weight, g/mol:	412.201159
ΔH_f, kcal/mol:	87.73
Dipole, Da:	4.63
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[6-(2-methylimidazol-1-yl)pyridin-2-yl]pyrrolidin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=CC=CC(=N2)[C@H]3CCCN3C(=O)C4=CC=C(C=C4)CN5C=CC=N5

DOS

IR

Vibrations