Geometry & MOs

Info

ID:	427923
PubChem CID:	135165483
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	393.195346
ΔH_f, kcal/mol:	53.12
Dipole, Da:	3.75
IP(EA), eV:	-8.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-1-yl)-N-[1-[5-ethenyl-3-[(Z)-prop-1-enyl]pyridin-2-yl]ethenyl]-2-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC)C2=C(C(=CC=C2)C3=NC4=C(O3)CNC4)Cl

DOS

IR

Vibrations