Geometry & MOs

Info

ID:

138724

PubChem CID:

52416382

Reduced:

N2C14H21 (1)

Stoich.:

A2B14C21 (1)

Weight, g/mol:

216.162649

ΔHf, kcal/mol:

64.64

Dipole, Da:

2.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753898

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-benzyl-1-cyclopropylpiperazine

Drug info:

PubChemData

Smile

C1CC1N2CC[NH2+][C@H](C2)CC3=CC=CC=C3

DOS

IR

Vibrations