Geometry & MOs

Info

ID:	257248
PubChem CID:	103144642
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	242.116761
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	4.64
IP(EA), eV:	-8.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)Br)O)C)N

DOS

IR

Vibrations