Geometry & MOs

Info

ID:	431251
PubChem CID:	135171322
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	6.89
IP(EA), eV:	-8.73(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NOC(=C2)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations