Geometry & MOs

Info

ID:	268313
PubChem CID:	103598896
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	11.62
Dipole, Da:	7.05
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)C=CC(=O)N3CCC4=C(C3)C=NN4

DOS

IR

Vibrations