Geometry & MOs

Info

ID:	188095
PubChem CID:	77668172
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	481.268905
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	2.74
IP(EA), eV:	-9.82(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-methoxy-4-(4-methoxyphenyl)-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridin-6-yl]phenyl]-N-methyl-2-(propan-2-ylamino)acetamide

Drug info:

PubChemData

Smile

CCC1C(CC(C(=O)N1)C2=CSC(=N2)C3=CC=NC=C3)C(=O)O

DOS

IR

Vibrations