Geometry & MOs

Info

ID:	331920
PubChem CID:	127250206
Reduced:	ClO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	439.177503
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	6.01
IP(EA), eV:	-9.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations