Geometry & MOs

Info

ID:	329753
PubChem CID:	127246620
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	73.56
Dipole, Da:	6.32
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-imidazol-1-ylpyridin-3-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CN=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations