Geometry & MOs

Info

ID:	43935
PubChem CID:	10322173
Reduced:	NO3C30H41 (1)
Stoich.:	AB3C30D41 (1)
Weight, g/mol:	463.142947
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	4.64
IP(EA), eV:	-8.16(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN1C=CCC(=C1)C(=O)O[C@@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)O)C

DOS

IR

Vibrations