Geometry & MOs

Info

ID:	84281
PubChem CID:	49865223
Reduced:	N5O6H21C23 (1)
Stoich.:	A5B6C21D23 (1)
Weight, g/mol:	390.171671
ΔH_f, kcal/mol:	-185.35
Dipole, Da:	7.03
IP(EA), eV:	-9.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)[C@]3(C(=O)NC(=O)N3)CN4CC5=C(C4=O)C=C(C=C5)OC

DOS

IR

Vibrations