Geometry & MOs

Info

ID:	148388
PubChem CID:	53788050
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	8.42
IP(EA), eV:	-8.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(cyclohexanecarbonylamino)-2-(methoxymethoxy)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2C[C@H]2NC3=C(C(=O)C3=O)N)OC4CCCC4

DOS

IR

Vibrations