Geometry & MOs

Info

ID:	198598
PubChem CID:	79122687
Reduced:	N5C15H27 (1)
Stoich.:	A5B15C27 (1)
Weight, g/mol:	283.262363
ΔH_f, kcal/mol:	18.92
Dipole, Da:	3.45
IP(EA), eV:	-8.39(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[methyl-[4-(propylamino)cyclohexyl]amino]butanamide

Drug info:

PubChemData

Smile

CCNC1CCC(CC1)N(C)C2=NC(=NC=C2)N(C)C

DOS

IR

Vibrations