Geometry & MOs

Info

ID:	188026
PubChem CID:	77654861
Reduced:	O3N7C32H43 (1)
Stoich.:	A3B7C32D43 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	3.17
IP(EA), eV:	-7.95(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(7-methoxy-1-oxo-9aH-[1,2,4]triazolo[4,3-a]quinolin-5-yl)carbamate

Drug info:

PubChemData

Smile

CC1=C(N(C2C1C(=O)NCN2)C3=CC=CC=C3)N(CCCCN4CCN(CC4)C5=CC=CC6=C5OCCCC6)C(=O)N

DOS

IR

Vibrations