Geometry & MOs

Info

ID:	31946
PubChem CID:	3724304
Reduced:	ON7C25H29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	424.176007
ΔH_f, kcal/mol:	62.9
Dipole, Da:	5.91
IP(EA), eV:	-9.47(-1.24)
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)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C(C3=NN=NN23)CN(CC4=CN=CC=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations