Geometry & MOs

Info

ID:	202424
PubChem CID:	79671175
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	5.21
IP(EA), eV:	-10.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyanomorpholine-4-carbonyl)-1,4-diazepan-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC(=O)N2CCOC(C2)C#N)C(=O)O

DOS

IR

Vibrations