Geometry & MOs

Info

ID:	299459
PubChem CID:	117683051
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	317.246713
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	2.17
IP(EA), eV:	-8.52(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)OC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations