Geometry & MOs

Info

ID:	204140
PubChem CID:	79918513
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	2.99
Dipole, Da:	1.56
IP(EA), eV:	-8.24(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-aminopyrimidin-4-yl)amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C3CCCC4=CC=CC=C34

DOS

IR

Vibrations