Geometry & MOs

Info

ID:	234556
PubChem CID:	92298683
Reduced:	O3N6C21H22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	380.115237
ΔH_f, kcal/mol:	31.52
Dipole, Da:	6.9
IP(EA), eV:	-8.69(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=C(N=C3N=NNN3[C@@H]2C4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations