Geometry & MOs

Info

ID:	306689
PubChem CID:	125165338
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-113.55
Dipole, Da:	9.88
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-N-ethyl-1-N-(2-propylphenyl)pyrrolidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=C(C=N2)CNC(=O)[C@H]3CC(=O)OC34CCCC4

DOS

IR

Vibrations