Geometry & MOs

Info

ID:	411480
PubChem CID:	135084311
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	229.18305
ΔH_f, kcal/mol:	-82.66
Dipole, Da:	2.53
IP(EA), eV:	-9.72(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-methyl-N-(2-methylprop-2-enyl)but-2-en-1-amine

Drug info:

PubChemData

Smile

CC1CCC2(C3C1C2(C=CC3O)O)C

DOS

IR

Vibrations