Geometry & MOs

Info

ID:

230857

PubChem CID:

87572152

Reduced:

N3O5C24H30 (1)

Stoich.:

A3B5C24D30 (1)

Weight, g/mol:

221.177964

ΔHf, kcal/mol:

-164.58

Dipole, Da:

3.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.968735

Charge, e:

 0

Chem-info

IUPAC name:

butanal;N-butylaniline

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=CC(=C(C=C1O)O)C(=O)[N+]2(CC3=C(C2)C=C(C=C3)C(=O)NC)C

DOS

IR

Vibrations