Geometry & MOs

Info

ID:	332939
PubChem CID:	127251363
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-38.75
Dipole, Da:	3.1
IP(EA), eV:	-9.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations