Geometry & MOs

Info

ID:	287721
PubChem CID:	104252802
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	4.07
IP(EA), eV:	-8.99(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(2-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)COC)CC(C)OC

DOS

IR

Vibrations