Geometry & MOs

Info

ID:	295568
PubChem CID:	117534409
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	6.72
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(1,3-benzodioxol-5-yl)imidazo[1,2-c]pyrimidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)CC1=C(N=C(S1)N(C)C)C(=O)O

DOS

IR

Vibrations