Geometry & MOs

Info

ID:	331106
PubChem CID:	127248513
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	377.187005
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	1.66
IP(EA), eV:	-8.41(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-methylpropyl)morpholine

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)C2=NN(C(=C2)CCOC3=CC=CC=C3OC)C

DOS

IR

Vibrations