Geometry & MOs

Info

ID:	313106
PubChem CID:	126611987
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	422.247047
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	6.57
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(E)-[2-(benzotriazol-1-yl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]-3-ethyl-1-phenylhex-3-en-2-amine

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\COC1=C(C=CC(=C1)OC)/C=C/C(=O)NO

DOS

IR

Vibrations