Geometry & MOs

Info

ID:	197874
PubChem CID:	79008885
Reduced:	N3C18H31 (1)
Stoich.:	A3B18C31 (1)
Weight, g/mol:	289.251798
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	2.06
IP(EA), eV:	-8.21(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-2-(3-ethyl-4-methylpiperazin-1-yl)butan-1-amine

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(CN)N2CCN(C(C2)C)CC

DOS

IR

Vibrations