Geometry & MOs

Info

ID:	227770
PubChem CID:	87562445
Reduced:	ClO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	393.0688
ΔH_f, kcal/mol:	-21.88
Dipole, Da:	4.23
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 6-bromo-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1O)C2=NC(=NC3=C2OC=C3)Cl

DOS

IR

Vibrations