Geometry & MOs

Info

ID:	326256
PubChem CID:	126687242
Reduced:	ClN5C14H26 (1)
Stoich.:	AB5C14D26 (1)
Weight, g/mol:	247.123324
ΔH_f, kcal/mol:	30.46
Dipole, Da:	4.96
IP(EA), eV:	-8.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(7,7a-dihydropyrrolo[2,3-b]pyridin-3-ylidene)-5-fluoro-N-methyl-3,4-dihydro-1H-pyrimidin-6-amine

Drug info:

PubChemData

Smile

C/C=C(/CC=NC(C)CCN)\C=N\C(=C/NCCN)\Cl

DOS

IR

Vibrations