Geometry & MOs

Info

ID:	260399
PubChem CID:	103190039
Reduced:	ClN3C17H30 (1)
Stoich.:	AB3C17D30 (1)
Weight, g/mol:	277.226646
ΔH_f, kcal/mol:	-5.64
Dipole, Da:	2.48
IP(EA), eV:	-8.42(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(C=C1)N(CC)C(C)CN(C)C)Cl

DOS

IR

Vibrations