Geometry & MOs

Info

ID:

390460

PubChem CID:

134999270

Reduced:

NO3C19H28 (1)

Stoich.:

AB3C19D28 (1)

Weight, g/mol:

373.079212

ΔHf, kcal/mol:

-118.35

Dipole, Da:

4.11

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754431

Charge, e:

0

Chem-info

IUPAC name:

N-(1-cyclopropyl-2-dichloroalumanyloxy-2-ethoxyethenyl)-N-ethyl-4-methoxyaniline

Drug info:

PubChemData

Smile

CC[N+](=C(C1CCCCC1)C(=O)OCC)C2=CC=C(C=C2)OC

DOS

IR

Vibrations