Geometry & MOs

Info

ID:	31947
PubChem CID:	3724306
Reduced:	ON8H20C23 (1)
Stoich.:	AB8C20D23 (1)
Weight, g/mol:	400.201159
ΔH_f, kcal/mol:	142.3
Dipole, Da:	5.06
IP(EA), eV:	-9.57(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C(C3=NN=NN23)CN(CC4=CN=CC=C4)C(=O)C5=NC=CN=C5)C

DOS

IR

Vibrations