Geometry & MOs

Info

ID:	332493
PubChem CID:	127250779
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	415.177503
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	2.02
IP(EA), eV:	-8.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations