Geometry & MOs

Info

ID:	290115
PubChem CID:	104410473
Reduced:	O3N5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	10.37
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C)NC1=C(C=CC(=N1)NC)[N+](=O)[O-]

DOS

IR

Vibrations