Geometry & MOs

Info

ID:	322628
PubChem CID:	126670691
Reduced:	O4N7C24H27 (1)
Stoich.:	A4B7C24D27 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-75.14
Dipole, Da:	10.6
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[(2S,4R,5R)-4,5-dimethylpyrrolidin-2-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](C1)O)NC(=O)[C@@H]2CCCN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N

DOS

IR

Vibrations