Geometry & MOs

Info

ID:	81774
PubChem CID:	49855130
Reduced:	NO7C25H31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-286.05
Dipole, Da:	4.3
IP(EA), eV:	-9.83(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]([C@@](C1C[C@@H]([C@@]3(C2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)O)(C)CO)O

DOS

IR

Vibrations