Geometry & MOs

Info

ID:	234557
PubChem CID:	92298685
Reduced:	ClON6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	380.115237
ΔH_f, kcal/mol:	105.08
Dipole, Da:	6.12
IP(EA), eV:	-8.77(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-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=CC=C(C=C4)Cl)C

DOS

IR

Vibrations