Geometry & MOs

Info

ID:	289924
PubChem CID:	104387852
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-38.37
Dipole, Da:	4.62
IP(EA), eV:	-8.52(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-5-propylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCNC1=NC(=CC(=N1)NCC(=O)N(CC)CC)C

DOS

IR

Vibrations