Geometry & MOs

Info

ID:	249777
PubChem CID:	103092022
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	155.131014
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	3.42
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-4-(oxolan-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC2=C(C(=C1)Cl)OCCCO2)NC

DOS

IR

Vibrations