Geometry & MOs

Info

ID:	65636
PubChem CID:	46386700
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	5.79
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-morpholin-4-yl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NC3=CC=CC=C3F)N4CCOCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations