Geometry & MOs

Info

ID:	339733
PubChem CID:	127261735
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	293.067952
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	2.7
IP(EA), eV:	-10.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-amino-6-chloropyrimidin-4-yl)phenyl]methyl N-aminocarbamate

Drug info:

PubChemData

Smile

CC(CC(=O)C1=CC=NC=C1)OC(=O)NN

DOS

IR

Vibrations