Geometry & MOs

Info

ID:	277297
PubChem CID:	103827683
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	2.6
IP(EA), eV:	-9.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hex-5-ynyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(=O)C(CC(=O)N)N

DOS

IR

Vibrations