Geometry & MOs

Info

ID:	325759
PubChem CID:	126684810
Reduced:	NO6C30H41 (1)
Stoich.:	AB6C30D41 (1)
Weight, g/mol:	256.143645
ΔH_f, kcal/mol:	-278.49
Dipole, Da:	4.64
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)CC(C)C(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O)C

DOS

IR

Vibrations