Geometry & MOs

Info

ID:	350703
PubChem CID:	127278991
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	-111.18
Dipole, Da:	1.4
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC(=O)C23CCC(=O)N2C4=CC=CC=C4S3)C

DOS

IR

Vibrations