Geometry & MOs

Info

ID:	296474
PubChem CID:	117577089
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	263.210996
ΔH_f, kcal/mol:	32.72
Dipole, Da:	4.48
IP(EA), eV:	-8.59(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-6-[2-(methylaminomethyl)pyrrolidin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNCC1CCCN1C2=CC(=NC=N2)N(C)C

DOS

IR

Vibrations