Geometry & MOs

Info

ID:	128569
PubChem CID:	51050448
Reduced:	Cl2N2O2C21H28 (1)
Stoich.:	A2B2C2D21E28 (1)
Weight, g/mol:	408.206245
ΔH_f, kcal/mol:	-132.44
Dipole, Da:	6.31
IP(EA), eV:	-9.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2-[4-(4-butyltriazol-1-yl)phenyl]imidazo[1,2-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=C2/C=C/C(=O)O)C)CC(C)C)CN.Cl.Cl

DOS

IR

Vibrations