Geometry & MOs

Info

ID:	193507
PubChem CID:	78402175
Reduced:	BrON3H24C25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	437.169919
ΔH_f, kcal/mol:	74.97
Dipole, Da:	5.79
IP(EA), eV:	-7.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(2,5-dimethoxyphenyl)-6-(4-methylbenzoyl)-1,2,3,7-tetrahydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=C3C=C(C=CC3=NC(N2N1)C4=CC=C(C=C4)OCC5=CC(=CC=C5)Br)C

DOS

IR

Vibrations