Geometry & MOs

Info

ID:	315543
PubChem CID:	126627528
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	604.304956
ΔH_f, kcal/mol:	-124.21
Dipole, Da:	8.68
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[3-(2-but-3-enoxy-5-cyanophenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C(=O)O)C(=C1CC(=O)OC)N3CCC(CC3)(C)CCC=C

DOS

IR

Vibrations