Geometry & MOs

Info

ID:	249893
PubChem CID:	103092698
Reduced:	NF2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	183.162314
ΔH_f, kcal/mol:	-172.87
Dipole, Da:	5.16
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C=C1)OC(F)F)OCC

DOS

IR

Vibrations