Geometry & MOs

Info

ID:	298935
PubChem CID:	117664408
Reduced:	ON2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	1.51
Dipole, Da:	4.48
IP(EA), eV:	-8.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-methyl-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1H-cyclopenta[c]pyrrol-2-yl]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)NC=C3C4=CN=CC(=N4)O[C@@H]5CCCNC5

DOS

IR

Vibrations