Geometry & MOs

Info

ID:	442524
PubChem CID:	135252661
Reduced:	S2N7H31C49 (1)
Stoich.:	A2B7C31D49 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	296.63
Dipole, Da:	2.4
IP(EA), eV:	-8.33(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-3,3-dimethylbutyl)piperazine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(N2C4=NC5=CC6=C(N=C5S4)SC(=N6)N7C8=C(C=C(C=C8)N9C=CC1=CC=CC=C19)C1=CC=CC(=C17)C)C=CC(=C3)N1C=CC2=CC=CC=C21

DOS

IR

Vibrations