Geometry & MOs

Info

ID:	427266
PubChem CID:	135156535
Reduced:	ClN2H7C9 (3)
Stoich.:	AB2C7D9 (3)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	127.9
Dipole, Da:	4.6
IP(EA), eV:	-8.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(4-methoxycarbonylphenyl)methyl]-2,2-dimethylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl

DOS

IR

Vibrations