Geometry & MOs

Info

ID:	447034
PubChem CID:	135279710
Reduced:	OSN6C29H40 (1)
Stoich.:	ABC6D29E40 (1)
Weight, g/mol:	185.177964
ΔH_f, kcal/mol:	12.11
Dipole, Da:	4.51
IP(EA), eV:	-7.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl(2-methylhexan-3-yl)amino]propan-2-one

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)CCC4CCN(CC4)/C(=C/N)/C=C\N

DOS

IR

Vibrations