Geometry & MOs

Info

ID:	277275
PubChem CID:	103827592
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	5.64
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)N=CN=C2NC3CCCCC3CO

DOS

IR

Vibrations