Geometry & MOs

Info

ID:	82067
PubChem CID:	49855553
Reduced:	N4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	50.17
Dipole, Da:	3.39
IP(EA), eV:	-8.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CC[C@@H](CC1N(C)C2=NC=NC3=C2C=CN3)C(=C)C

DOS

IR

Vibrations