Geometry & MOs

Info

ID:	368758
PubChem CID:	127330054
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	349.134779
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	1.95
IP(EA), eV:	-9.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1C2CC3CC(C2)CC1C3)OC4=CN=CC=C4

DOS

IR

Vibrations