Geometry & MOs

Info

ID:	213115
PubChem CID:	81062921
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	5.76
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=C(C=CC(=C1)C(=O)N(C)CCOCC)[N+](=O)[O-]

DOS

IR

Vibrations