Geometry & MOs

Info

ID:	299000
PubChem CID:	117666149
Reduced:	NO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	6.72
Dipole, Da:	0.37
IP(EA), eV:	-9.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-2-amino-1-cyclopropylethyl]amino]-4-[(1-ethylindol-4-yl)amino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C#CCN1C=C(C=CC1=O)C=O

DOS

IR

Vibrations