Geometry & MOs

Info

ID:	415400
PubChem CID:	135088394
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	264.113487
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	4.28
IP(EA), eV:	-8.56(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-4-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C(C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations