Geometry & MOs

Info

ID:	349213
PubChem CID:	127274939
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	0.22
Dipole, Da:	3.57
IP(EA), eV:	-9.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CN=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations