Geometry & MOs

Info

ID:	127381
PubChem CID:	51000771
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	24.88
Dipole, Da:	6.64
IP(EA), eV:	-8.27(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2C=CN3)NC(=O)[C@H](CC4=CC=CC=C4)N

DOS

IR

Vibrations