Geometry & MOs

Info

ID:	417746
PubChem CID:	135102636
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	4.67
Dipole, Da:	2.14
IP(EA), eV:	-8.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1N2CCN(CC2)C3CCOCC3

DOS

IR

Vibrations