Geometry & MOs

Info

ID:	367614
PubChem CID:	127325104
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-66.84
Dipole, Da:	6.78
IP(EA), eV:	-9.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(3-morpholin-4-yl-3-oxopropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)NCCC(=O)N3CCOCC3

DOS

IR

Vibrations