Geometry & MOs

Info

ID:	332371
PubChem CID:	127250657
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	432.190989
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	1.98
IP(EA), eV:	-9.37(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[6-[4-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)morpholin-2-yl]pyridin-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations