Geometry & MOs

Info

ID:	233262
PubChem CID:	89449557
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	414.201553
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	1.13
IP(EA), eV:	-9.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-3-formamidopyrrolo[1,2-b]pyridazin-6-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CN(C(=C1)C(=O)OCC)N

DOS

IR

Vibrations