Geometry & MOs

Info

ID:	332450
PubChem CID:	127250736
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	414.150347
ΔH_f, kcal/mol:	-90.48
Dipole, Da:	2.41
IP(EA), eV:	-8.78(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations