Geometry & MOs

Info

ID:	331603
PubChem CID:	127249612
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	447.263425
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	6.0
IP(EA), eV:	-9.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclopropylmethyl)-2-[1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCC(C3)C4=NC(=C5CC(=O)N(C5=N4)CC6CC6)C

DOS

IR

Vibrations