Geometry & MOs

Info

ID:	332496
PubChem CID:	127250782
Reduced:	FO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-14.41
Dipole, Da:	2.49
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC3=C(C=C2)N=CC=C3)C4=NNC(=C4)CCOC5=CC=C(C=C5)F

DOS

IR

Vibrations