Geometry & MOs

Info

ID:	331201
PubChem CID:	127248608
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	443.213281
ΔH_f, kcal/mol:	-30.75
Dipole, Da:	2.24
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC(=C4)OC)C

DOS

IR

Vibrations