Geometry & MOs

Info

ID:	413547
PubChem CID:	135086496
Reduced:	FNC13H16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	199.1361
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	2.92
IP(EA), eV:	-9.13(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-prop-2-ynylbut-2-en-1-amine

Drug info:

PubChemData

Smile

C1CCC(=NCC2=CC=CC=C2)C(C1)F

DOS

IR

Vibrations