Geometry & MOs

Info

ID:	361156
PubChem CID:	127302100
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	2.81
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-piperidin-1-yloxan-4-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)NCC3(CCOCC3)N4CCCCC4

DOS

IR

Vibrations