Geometry & MOs

Info

ID:	391263
PubChem CID:	135003987
Reduced:	BrNO2C26H26 (1)
Stoich.:	ABC2D26E26 (1)
Weight, g/mol:	416.190006
ΔH_f, kcal/mol:	-0.52
Dipole, Da:	3.55
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-3-(4-fluorophenyl)-6-phenyl-2,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(/C=C/C1=CC=C(C=C1)Br)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations