Geometry & MOs

Info

ID:	331172
PubChem CID:	127248579
Reduced:	ClO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	443.172417
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	4.11
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations