Geometry & MOs

Info

ID:	82925
PubChem CID:	49856819
Reduced:	N5C9H17 (1)
Stoich.:	A5B9C17 (1)
Weight, g/mol:	195.148396
ΔH_f, kcal/mol:	23.84
Dipole, Da:	3.92
IP(EA), eV:	-8.82(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-amino-2,2-dimethylpropyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(CCN)NC1=NC(=NC=C1)N

DOS

IR

Vibrations