Geometry & MOs

Info

ID:	126185
PubChem CID:	50954820
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	38.39
Dipole, Da:	5.29
IP(EA), eV:	-8.4(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1CC=C)C2=C(N=CN2C3CCC(CC3)O)C4=CC=CC=C4

DOS

IR

Vibrations