Geometry & MOs

Info

ID:	233634
PubChem CID:	91146917
Reduced:	N2O11C25H46 (1)
Stoich.:	A2B11C25D46 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-554.94
Dipole, Da:	6.63
IP(EA), eV:	-9.52(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylamino)phenyl]imino-6-ethyl-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCC1C(CC(C(O1)OC2C(CC(C(C2O)OC3C(CC(C(O3)CO)O)O)N)NC(=O)OC(C)(C)C)C)O

DOS

IR

Vibrations