Geometry & MOs

Info

ID:	331211
PubChem CID:	127248618
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	421.176834
ΔH_f, kcal/mol:	-25.57
Dipole, Da:	7.46
IP(EA), eV:	-8.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-propan-2-yloxyethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)NC(=O)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4)C

DOS

IR

Vibrations