Geometry & MOs

Info

ID:	277280
PubChem CID:	103827616
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	41.21
Dipole, Da:	4.36
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC2=NC=NC3=C2CCCCC3

DOS

IR

Vibrations