Geometry & MOs

Info

ID:	173455
PubChem CID:	75640291
Reduced:	N5C19H19 (1)
Stoich.:	A5B19C19 (1)
Weight, g/mol:	317.164046
ΔH_f, kcal/mol:	128.9
Dipole, Da:	10.09
IP(EA), eV:	-9.49(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations