Geometry & MOs

Info

ID:	331196
PubChem CID:	127248603
Reduced:	ClO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	435.18821
ΔH_f, kcal/mol:	5.93
Dipole, Da:	4.35
IP(EA), eV:	-9.1(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=NC=CN3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations