Geometry & MOs

Info

ID:	277276
PubChem CID:	103827595
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-79.95
Dipole, Da:	2.25
IP(EA), eV:	-8.74(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(CCO)NC1=NC=NC2=C1CCCCC2

DOS

IR

Vibrations