Geometry & MOs

Info

ID:	350809
PubChem CID:	127279097
Reduced:	ClO3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	4.77
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-2-(4-oxofuro[3,2-c]pyridin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC2=C(C=C(C=N2)C(=O)N3CCOCC3)Cl)C

DOS

IR

Vibrations