Geometry & MOs

Info

ID:	449585
PubChem CID:	135299856
Reduced:	N2O2C23H34 (1)
Stoich.:	A2B2C23D34 (1)
Weight, g/mol:	312.206245
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	2.77
IP(EA), eV:	-8.08(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,6aS)-2-(2-methyliminoethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(N=C1OC)CC(C)(C)C2=CC=C(C=C2)N(C)C)OC

DOS

IR

Vibrations