Geometry & MOs

Info

ID:	82016
PubChem CID:	49855480
Reduced:	FNOC14H15 (2)
Stoich.:	ABCD14E15 (2)
Weight, g/mol:	405.170194
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	3.41
IP(EA), eV:	-9.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(2-cyclopropylpyridin-4-yl)-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyrazin-7-amine

Drug info:

PubChemData

Smile

CC1(N(C(C(=C1)CN2C/C(=C\C3=CC=CC=C3F)/C(=O)/C(=C/C4=CC=CC=C4F)/C2)(C)C)O)C

DOS

IR

Vibrations