Geometry & MOs

Info

ID:	206460
PubChem CID:	80254831
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	252.139326
ΔH_f, kcal/mol:	-68.62
Dipole, Da:	1.66
IP(EA), eV:	-8.75(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloropentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N)C(=O)NC2CCOC2

DOS

IR

Vibrations