Geometry & MOs

Info

ID:	296377
PubChem CID:	117571045
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-134.99
Dipole, Da:	5.18
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[1-(hydroxymethyl)cyclopropyl]methylamino]phenyl]ethanone

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNCC(CC(=O)O)N

DOS

IR

Vibrations