Geometry & MOs

Info

ID:

388573

PubChem CID:

134989534

Reduced:

N2C11H13 (1)

Stoich.:

A2B11C13 (1)

Weight, g/mol:

193.157898

ΔHf, kcal/mol:

49.51

Dipole, Da:

1.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.014101

Charge, e:

 0

Chem-info

IUPAC name:

N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine

Drug info:

PubChemData

Smile

C[N+]1=C(CC2=CC=CC=C2C=C1)N

DOS

IR

Vibrations