Geometry & MOs

Info

ID:	342267
PubChem CID:	127265044
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	263.149458
ΔH_f, kcal/mol:	54.53
Dipole, Da:	6.05
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-(2H-tetrazol-5-yl)pentan-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=NC4=C3SC=C4

DOS

IR

Vibrations