Geometry & MOs

Info

ID:	447236
PubChem CID:	135281367
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	454.04073
ΔH_f, kcal/mol:	-84.41
Dipole, Da:	7.51
IP(EA), eV:	-9.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-bromo-2-(5-chloro-2,4-dimethoxyphenyl)-5H-imidazo[1,2-c]pyrimidin-7-yl]morpholine

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC=C(C=C1)C(C(=O)O)N

DOS

IR

Vibrations