Geometry & MOs

Info

ID:	137311
PubChem CID:	52189009
Reduced:	ClOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	395.08445
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	3.06
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2CC(=O)N3C(N2)SC=C3C)Cl

DOS

IR

Vibrations