Geometry & MOs

Info

ID:	331606
PubChem CID:	127249615
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	4.3
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclohexylmethyl)-4-methyl-2-[1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)COC(C)C)CCCC4=CC=CC=C4

DOS

IR

Vibrations