Geometry & MOs

Info

ID:	332532
PubChem CID:	127250818
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	429.193153
ΔH_f, kcal/mol:	7.12
Dipole, Da:	2.73
IP(EA), eV:	-8.6(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations