Geometry & MOs

Info

ID:	350000
PubChem CID:	127276873
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	5.57
IP(EA), eV:	-8.91(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-4-(4-propan-2-yl-1,4-diazepan-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CCOCC2

DOS

IR

Vibrations