Geometry & MOs

Info

ID:	431252
PubChem CID:	135171323
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	31.3
Dipole, Da:	5.86
IP(EA), eV:	-9.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[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=CC=CC=C2)C(=O)C3=CC4=NC=NC=C4N3

DOS

IR

Vibrations