Geometry & MOs

Info

ID:	299460
PubChem CID:	117683059
Reduced:	ON3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	4.32
IP(EA), eV:	-8.35(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)CN2CCN(CC2)CCCC(=O)N

DOS

IR

Vibrations