Geometry & MOs

Info

ID:	331193
PubChem CID:	127248600
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-17.52
Dipole, Da:	4.36
IP(EA), eV:	-8.44(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpyrazol-4-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4OC)C

DOS

IR

Vibrations