Geometry & MOs

Info

ID:	210330
PubChem CID:	80789616
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	221.164046
ΔH_f, kcal/mol:	1.69
Dipole, Da:	6.88
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(1-ethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN1CCC(C1)CNC2=C(C=CC(=N2)N)[N+](=O)[O-]

DOS

IR

Vibrations