Geometry & MOs

Info

ID:	298753
PubChem CID:	117655420
Reduced:	PO3C28H29 (1)
Stoich.:	AB3C28D29 (1)
Weight, g/mol:	467.245188
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	4.21
IP(EA), eV:	-8.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)P(CC2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)OC)OC

DOS

IR

Vibrations