Geometry & MOs

Info

ID:	331192
PubChem CID:	127248599
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	0.84
IP(EA), eV:	-8.54(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4)C

DOS

IR

Vibrations