Geometry & MOs

Info

ID:	415363
PubChem CID:	135088357
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	295.179696
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	7.11
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7,8-trimethyl-N-[3-(triazol-1-yl)propyl]quinolin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CN2CC3(CCN(CC3)C(=O)C4=CC5=C(C=C4)OCC5)OCCC2=O

DOS

IR

Vibrations