Geometry & MOs

Info

ID:	325294
PubChem CID:	126682512
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	10.27
IP(EA), eV:	-8.87(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-7-methyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CN2C(=C1)C(=O)N=C(N2)CCCC(=O)N3CCC(CC3)C(=O)C4=NN=C(C=C4)OC

DOS

IR

Vibrations