Geometry & MOs

Info

ID:	82201
PubChem CID:	49855752
Reduced:	N4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	33.98
Dipole, Da:	3.44
IP(EA), eV:	-8.36(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C(C1)N(C)C2=NC=NC3=C2C=CN3)C

DOS

IR

Vibrations