Geometry & MOs

Info

ID:	331190
PubChem CID:	127248597
Reduced:	F2O3N5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-107.17
Dipole, Da:	5.76
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations