Geometry & MOs

Info

ID:	277274
PubChem CID:	103827591
Reduced:	OSN3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	4.85
IP(EA), eV:	-8.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(CNC1=NC=NC2=C1CCCCC2)(CSC)O

DOS

IR

Vibrations