Geometry & MOs

Info

ID:	319060
PubChem CID:	126654388
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	323.293663
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	1.33
IP(EA), eV:	-8.45(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)CC1=CC=C(C=C1)OC2CC(C2)NC(C)(C)C

DOS

IR

Vibrations