Geometry & MOs

Info

ID:	75100
PubChem CID:	48422993
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	2.88
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=NC2=CC=CC=C2S1)OCC3CC3

DOS

IR

Vibrations