Geometry & MOs

Info

ID:	161832
PubChem CID:	57392805
Reduced:	OCl3N4C7H7 (1)
Stoich.:	AB3C4D7E7 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	9.58
IP(EA), eV:	-9.9(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)Cl)C(=O)N=C(N)N.Cl

DOS

IR

Vibrations