Geometry & MOs

Info

ID:	344229
PubChem CID:	127267405
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	5.86
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methylphenyl)propyl]imidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)CN2C(=O)C=C(C=N2)NC)C(=O)OC

DOS

IR

Vibrations