Geometry & MOs

Info

ID:	127379
PubChem CID:	51000769
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	4.04
IP(EA), eV:	-8.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-phenyl-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)COC4=CC=CC=C4

DOS

IR

Vibrations