Geometry & MOs

Info

ID:	65618
PubChem CID:	46386682
Reduced:	ON5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	43.63
Dipole, Da:	4.87
IP(EA), eV:	-8.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=NC3=C(C(=C(N3C4=CC=CC=C4)C)C)C(=N2)N5CCCC5

DOS

IR

Vibrations