Geometry & MOs

Info

ID:	65619
PubChem CID:	46386683
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	477.173166
ΔH_f, kcal/mol:	12.61
Dipole, Da:	6.78
IP(EA), eV:	-8.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCC5

DOS

IR

Vibrations