Geometry & MOs

Info

ID:	210700
PubChem CID:	80842310
Reduced:	ClSN6H9C11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	106.34
Dipole, Da:	0.59
IP(EA), eV:	-8.93(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethylazepan-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)NC2=C(C=CC3=NSN=C32)Cl

DOS

IR

Vibrations