Geometry & MOs

Info

ID:	336505
PubChem CID:	127255512
Reduced:	IN2O2C5H5 (1)
Stoich.:	AB2C2D5E5 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-53.35
Dipole, Da:	2.9
IP(EA), eV:	-10.28(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C(=O)C=C(NC1=O)I

DOS

IR

Vibrations