Geometry & MOs

Info

ID:	291888
PubChem CID:	113585174
Reduced:	BrO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	4.62
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(3-methyloxolan-3-yl)amino]-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1(CCOC1)NC2=C(C(=O)N(N=C2)CC=C)Br

DOS

IR

Vibrations