Geometry & MOs

Info

ID:	123942
PubChem CID:	50866527
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	309.195346
ΔH_f, kcal/mol:	-95.14
Dipole, Da:	5.96
IP(EA), eV:	-7.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(1,2,4-triazol-4-yl)methanimine

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=C(C=C4)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations