Geometry & MOs

Info

ID:	356040
PubChem CID:	127291069
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	377.195071
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	3.16
IP(EA), eV:	-8.3(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethoxybenzoyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C3CCN(CC3)C(=O)NC4CCCOC4

DOS

IR

Vibrations