Geometry & MOs

Info

ID:	421347
PubChem CID:	135115815
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	391.294725
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	4.65
IP(EA), eV:	-8.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-N-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCN4C=CC(=O)NC4=O

DOS

IR

Vibrations