Geometry & MOs

Info

ID:	262243
PubChem CID:	103279206
Reduced:	N4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	41.11
Dipole, Da:	3.34
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(5-ethyl-4-methylpyrimidin-2-yl)-methylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=NC=C2)N3CCCC3CN)C

DOS

IR

Vibrations