Geometry & MOs

Info

ID:	425770
PubChem CID:	135127904
Reduced:	ClN4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	398.135446
ΔH_f, kcal/mol:	105.6
Dipole, Da:	5.11
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(1-pyrimidin-5-ylethylideneamino)phenyl]ethenyl]-3-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CCC1=C(C=CCC=C1C)NC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations