Geometry & MOs

Info

ID:	132107
PubChem CID:	51306450
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-177.71
Dipole, Da:	2.59
IP(EA), eV:	-9.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations