Geometry & MOs

Info

ID:	404217
PubChem CID:	135065486
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	72.36
Dipole, Da:	2.23
IP(EA), eV:	-8.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-but-3-en-2-yloxy-1-phenylmethanamine

Drug info:

PubChemData

Smile

CC(=C)C#C[C@@H]1C2=CC=CC=C2OC3=CC=CC=C3N1

DOS

IR

Vibrations