Geometry & MOs

Info

ID:	196330
PubChem CID:	78812195
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	299.120467
ΔH_f, kcal/mol:	-83.67
Dipole, Da:	10.95
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinoline

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)NC2=CC=CC=C2C(=O)N)C)C#N

DOS

IR

Vibrations