Geometry & MOs

Info

ID:	173454
PubChem CID:	75640290
Reduced:	NC5H5 (4)
Stoich.:	AB5C5 (4)
Weight, g/mol:	317.164046
ΔH_f, kcal/mol:	104.14
Dipole, Da:	7.06
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethylphenyl)-7-(4-methylphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(=NC3=NC=NN23)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations