Geometry & MOs

Info

ID:	332921
PubChem CID:	127251345
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	5.78
IP(EA), eV:	-8.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC(=O)NC3=CC=C(C=C3)OC)C4=CN=C(N=C4)N

DOS

IR

Vibrations