Geometry & MOs

Info

ID:

45401

PubChem CID:

10512780

Reduced:

N5C8H12 (1)

Stoich.:

A5B8C12 (1)

Weight, g/mol:

177.115364

ΔHf, kcal/mol:

71.37

Dipole, Da:

2.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.963430

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R)-2-phenylmethoxycyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=[N+](C(=NN12)N)C)C

DOS

IR

Vibrations