Geometry & MOs

Info

ID:	265494
PubChem CID:	103525372
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	293.067952
ΔH_f, kcal/mol:	50.13
Dipole, Da:	4.56
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(=CCNC1=NC2=CC=CC=C2N1)C

DOS

IR

Vibrations