Geometry & MOs

Info

ID:	49311
PubChem CID:	11532784
Reduced:	O2N6H24C27 (1)
Stoich.:	A2B6C24D27 (1)
Weight, g/mol:	464.315127
ΔH_f, kcal/mol:	56.23
Dipole, Da:	8.0
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)butanediamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=CC=C3)C4=C(C=CC=N4)OCC5=CC=CC=C5

DOS

IR

Vibrations