Geometry & MOs

Info

ID:	331133
PubChem CID:	127248540
Reduced:	ClO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	409.197712
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	2.86
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethyl)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3CC3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations