Geometry & MOs

Info

ID:	57596
PubChem CID:	22425736
Reduced:	Br2N2O2H22C23 (1)
Stoich.:	A2B2C2D22E23 (1)
Weight, g/mol:	400.060614
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	3.21
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CC(NC(N2)C3=CC=C(C=C3)Br)C4=C(C=CC(=C4)Br)O

DOS

IR

Vibrations