Geometry & MOs

Info

ID:	331774
PubChem CID:	127250058
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	380.164854
ΔH_f, kcal/mol:	12.93
Dipole, Da:	5.82
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations