Geometry & MOs

Info

ID:	435604
PubChem CID:	135191923
Reduced:	FON2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	3.5
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[5-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=NCC1=C(C=CC(=C1)F)F)/C=C(/C(=O)N[C@H]2CCC3=CC=CC=C3NC2=O)\N

DOS

IR

Vibrations