Geometry & MOs

Info

ID:	25249
PubChem CID:	621618
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	277.18305
ΔH_f, kcal/mol:	-129.73
Dipole, Da:	5.91
IP(EA), eV:	-9.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-ethyl-2-methyl-4-phenylbut-3-yn-2-amine

Drug info:

PubChemData

Smile

C1CCCCCC2=C(CCCC1)CC3C(C2)C(=O)OC3=O

DOS

IR

Vibrations