Geometry & MOs

Info

ID:	132660
PubChem CID:	51394771
Reduced:	OPN6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	417.170194
ΔH_f, kcal/mol:	17.43
Dipole, Da:	6.28
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(1,3-diphenylpyrazol-4-yl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N[P@@]2(=O)C3=C(N=C(N2C)C4=CC=CC=C4)N(N=C3C)CCC#N)C

DOS

IR

Vibrations