Geometry & MOs

Info

ID:	248767
PubChem CID:	103084203
Reduced:	BrO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	345.08406
ΔH_f, kcal/mol:	-42.53
Dipole, Da:	4.63
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(C(=N2)N)C(=O)OC)C

DOS

IR

Vibrations