Geometry & MOs

Info

ID:	39638
PubChem CID:	8141722
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	435.273321
ΔH_f, kcal/mol:	1.47
Dipole, Da:	5.62
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations