Geometry & MOs

Info

ID:	329702
PubChem CID:	127246569
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	41.11
Dipole, Da:	7.09
IP(EA), eV:	-9.31(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-3-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations