Geometry & MOs

Info

ID:	331943
PubChem CID:	127250229
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	4.55
Dipole, Da:	6.29
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)CN4C(=NC5=CC=CC=C54)C

DOS

IR

Vibrations