Geometry & MOs

Info

ID:	332392
PubChem CID:	127250678
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-61.28
Dipole, Da:	6.55
IP(EA), eV:	-9.55(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[2-(1-hydroxycyclohexyl)acetyl]morpholin-2-yl]pyridin-2-yl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations