Geometry & MOs

Info

ID:	270703
PubChem CID:	103637756
Reduced:	O2N5C14H25 (1)
Stoich.:	A2B5C14D25 (1)
Weight, g/mol:	260.174945
ΔH_f, kcal/mol:	-76.69
Dipole, Da:	5.53
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)NCCN(CC)C2CC2)N

DOS

IR

Vibrations