Geometry & MOs

Info

ID:	350337
PubChem CID:	127277415
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	5.28
IP(EA), eV:	-8.71(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-hydroxycyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)C2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations