Geometry & MOs

Info

ID:	332534
PubChem CID:	127250820
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	415.141117
ΔH_f, kcal/mol:	-10.07
Dipole, Da:	3.65
IP(EA), eV:	-8.54(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(C)C)C

DOS

IR

Vibrations