Geometry & MOs

Info

ID:	322728
PubChem CID:	126670917
Reduced:	ON2C24H32 (1)
Stoich.:	AB2C24D32 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-11.69
Dipole, Da:	1.64
IP(EA), eV:	-8.7(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]-1-(3-methyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1)CC2=CC=C(C=C2)C3=CC=C(C=C3)COC4CCCC4

DOS

IR

Vibrations