Geometry & MOs

Info

ID:	29286
PubChem CID:	832811
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	275.117095
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	0.72
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzotriazol-1-ylmethyl)quinolin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations